NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651948 | 6ydh | 34500 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.565 -0.953 -1.361 3 HA3 GLY 1 HA3 GLY 1 1.378 0.135 -2.065 4 H ALA 2 H ALA 2 1.856 2.287 -2.311 5 HA ALA 2 HA ALA 2 4.675 2.968 -2.068 6 HB1 ALA 2 HB1 ALA 2 4.327 4.571 -3.673 7 HB2 ALA 2 HB2 ALA 2 3.079 3.401 -4.101 8 HB3 ALA 2 HB3 ALA 2 2.654 4.850 -3.190 9 H MET 3 H MET 3 5.506 4.300 -0.583 10 HA MET 3 HA MET 3 3.978 5.148 1.635 11 HB2 MET 3 HB2 MET 3 6.033 6.312 2.345 12 HB3 MET 3 HB3 MET 3 6.347 4.654 1.851 13 HG2 MET 3 HG2 MET 3 7.243 5.382 -0.246 14 HG3 MET 3 HG3 MET 3 6.773 7.048 0.083 15 HE1 MET 3 HE1 MET 3 9.550 4.419 0.336 16 HE2 MET 3 HE2 MET 3 10.315 4.757 1.889 17 HE3 MET 3 HE3 MET 3 8.682 4.094 1.837 18 H GLY 4 H GLY 4 3.377 7.226 2.311 19 HA2 GLY 4 HA2 GLY 4 2.824 9.051 0.097 20 HA3 GLY 4 HA3 GLY 4 2.102 9.110 1.698 21 H SER 5 H SER 5 3.517 11.139 -0.040 22 HA SER 5 HA SER 5 5.894 11.794 1.469 23 HB2 SER 5 HB2 SER 5 5.636 13.953 -0.031 24 HB3 SER 5 HB3 SER 5 6.186 12.432 -0.734 25 HG SER 5 HG SER 5 3.663 13.669 -0.920 26 H GLU 6 H GLU 6 2.578 12.949 1.183 27 HA GLU 6 HA GLU 6 2.771 15.311 2.636 28 HB2 GLU 6 HB2 GLU 6 0.414 15.204 2.909 29 HB3 GLU 6 HB3 GLU 6 0.767 14.460 1.356 30 HG2 GLU 6 HG2 GLU 6 0.277 12.946 3.909 31 HG3 GLU 6 HG3 GLU 6 -0.934 13.248 2.665 32 H SER 7 H SER 7 2.585 11.988 3.729 33 HA SER 7 HA SER 7 1.944 12.398 6.412 34 HB2 SER 7 HB2 SER 7 2.777 10.194 6.815 35 HB3 SER 7 HB3 SER 7 2.091 10.182 5.190 36 HG SER 7 HG SER 7 4.176 9.177 5.334 37 H GLU 8 H GLU 8 5.045 12.561 4.744 38 HA GLU 8 HA GLU 8 6.491 13.046 7.207 39 HB2 GLU 8 HB2 GLU 8 7.223 12.697 4.336 40 HB3 GLU 8 HB3 GLU 8 8.350 13.546 5.384 41 HG2 GLU 8 HG2 GLU 8 8.287 11.579 6.917 42 HG3 GLU 8 HG3 GLU 8 7.332 10.735 5.700 43 H GLN 9 H GLN 9 7.821 14.964 7.510 44 HA GLN 9 HA GLN 9 6.903 17.349 6.082 45 HB2 GLN 9 HB2 GLN 9 6.408 18.562 8.068 46 HB3 GLN 9 HB3 GLN 9 5.550 17.032 8.185 47 HG2 GLN 9 HG2 GLN 9 7.938 16.469 9.402 48 HG3 GLN 9 HG3 GLN 9 7.643 18.141 9.875 49 HE21 GLN 9 HE21 GLN 9 7.636 15.779 11.532 50 HE22 GLN 9 HE22 GLN 9 6.063 15.673 12.238 51 H ARG 10 H ARG 10 8.328 19.159 6.248 52 HA ARG 10 HA ARG 10 10.991 18.550 7.332 53 HB2 ARG 10 HB2 ARG 10 10.315 19.523 4.562 54 HB3 ARG 10 HB3 ARG 10 11.906 19.764 5.271 55 HG2 ARG 10 HG2 ARG 10 12.276 17.827 4.143 56 HG3 ARG 10 HG3 ARG 10 11.733 17.166 5.687 57 HD2 ARG 10 HD2 ARG 10 9.667 16.565 4.854 58 HD3 ARG 10 HD3 ARG 10 9.731 17.754 3.553 59 HE ARG 10 HE ARG 10 10.777 15.071 3.510 60 HH11 ARG 10 HH11 ARG 10 10.943 18.251 2.104 61 HH12 ARG 10 HH12 ARG 10 11.602 17.695 0.601 62 HH21 ARG 10 HH21 ARG 10 11.645 14.326 1.536 63 HH22 ARG 10 HH22 ARG 10 12.000 15.462 0.279 64 H HIS 11 H HIS 11 12.355 20.495 7.585 65 HA HIS 11 HA HIS 11 10.700 22.776 8.406 66 HB2 HIS 11 HB2 HIS 11 13.438 21.837 9.253 67 HB3 HIS 11 HB3 HIS 11 12.814 23.427 9.682 68 HD1 HIS 11 HD1 HIS 11 10.957 23.532 11.460 69 HD2 HIS 11 HD2 HIS 11 12.247 19.678 10.598 70 HE1 HIS 11 HE1 HIS 11 9.990 22.079 13.271 71 H ALA 12 H ALA 12 11.047 22.688 5.727 72 HA ALA 12 HA ALA 12 13.337 24.328 5.003 73 HB1 ALA 12 HB1 ALA 12 11.390 22.668 3.572 74 HB2 ALA 12 HB2 ALA 12 11.851 24.149 2.733 75 HB3 ALA 12 HB3 ALA 12 13.088 22.990 3.219 76 H HIS 13 H HIS 13 12.978 26.325 5.926 77 HA HIS 13 HA HIS 13 10.464 27.703 5.443 78 HB2 HIS 13 HB2 HIS 13 12.795 28.080 7.217 79 HB3 HIS 13 HB3 HIS 13 12.041 29.563 6.639 80 HD1 HIS 13 HD1 HIS 13 11.018 30.219 8.872 81 HD2 HIS 13 HD2 HIS 13 9.886 26.431 7.596 82 HE1 HIS 13 HE1 HIS 13 9.152 29.522 10.408 83 H GLN 14 H GLN 14 10.192 28.586 3.500 84 HA GLN 14 HA GLN 14 12.383 30.205 2.396 85 HB2 GLN 14 HB2 GLN 14 10.858 28.007 1.099 86 HB3 GLN 14 HB3 GLN 14 11.236 29.415 0.117 87 HG2 GLN 14 HG2 GLN 14 13.472 28.997 0.123 88 HG3 GLN 14 HG3 GLN 14 13.432 28.196 1.692 89 HE21 GLN 14 HE21 GLN 14 13.732 26.095 1.652 90 HE22 GLN 14 HE22 GLN 14 13.406 25.041 0.323 91 H CYS 15 H CYS 15 11.628 31.814 0.790 92 HA CYS 15 HA CYS 15 9.548 33.380 1.829 93 HB2 CYS 15 HB2 CYS 15 11.517 34.129 0.390 94 HB3 CYS 15 HB3 CYS 15 10.584 33.576 -0.996 95 HG CYS 15 HG CYS 15 8.767 35.576 0.911 96 H VAL 16 H VAL 16 7.449 33.745 1.192 97 HA VAL 16 HA VAL 16 6.091 31.547 -0.029 98 HB VAL 16 HB VAL 16 4.051 32.890 0.268 99 HG11 VAL 16 HG11 VAL 16 3.960 32.663 2.566 100 HG12 VAL 16 HG12 VAL 16 5.309 31.606 2.149 101 HG13 VAL 16 HG13 VAL 16 5.619 33.219 2.791 102 HG21 VAL 16 HG21 VAL 16 4.503 35.076 1.654 103 HG22 VAL 16 HG22 VAL 16 6.046 35.038 0.802 104 HG23 VAL 16 HG23 VAL 16 4.537 35.101 -0.109 105 H SER 17 H SER 17 7.276 34.628 -1.117 106 HA SER 17 HA SER 17 5.703 34.692 -3.522 107 HB2 SER 17 HB2 SER 17 6.311 36.837 -2.913 108 HB3 SER 17 HB3 SER 17 7.913 36.342 -2.366 109 HG SER 17 HG SER 17 7.096 36.368 -5.083 110 H CYS 18 H CYS 18 9.219 34.394 -2.976 111 HA CYS 18 HA CYS 18 9.384 32.873 -5.490 112 HB2 CYS 18 HB2 CYS 18 11.324 34.684 -4.083 113 HB3 CYS 18 HB3 CYS 18 11.900 33.477 -5.227 114 HG CYS 18 HG CYS 18 11.863 35.807 -6.650 115 H GLY 19 H GLY 19 11.545 33.077 -2.673 116 HA2 GLY 19 HA2 GLY 19 11.140 30.833 -1.290 117 HA3 GLY 19 HA3 GLY 19 11.869 30.185 -2.751 118 H ILE 20 H ILE 20 12.654 33.237 -1.156 119 HA ILE 20 HA ILE 20 15.411 32.924 -1.338 120 HB ILE 20 HB ILE 20 13.862 34.540 0.690 121 HG12 ILE 20 HG12 ILE 20 14.950 36.253 -1.190 122 HG13 ILE 20 HG13 ILE 20 14.437 34.875 -2.158 123 HG21 ILE 20 HG21 ILE 20 16.028 34.408 1.552 124 HG22 ILE 20 HG22 ILE 20 16.768 34.475 -0.048 125 HG23 ILE 20 HG23 ILE 20 16.023 35.918 0.641 126 HD11 ILE 20 HD11 ILE 20 12.463 35.787 -0.201 127 HD12 ILE 20 HD12 ILE 20 12.854 36.955 -1.462 128 HD13 ILE 20 HD13 ILE 20 12.270 35.350 -1.898 129 H ASN 21 H ASN 21 16.999 32.211 0.049 130 HA ASN 21 HA ASN 21 16.251 30.127 1.863 131 HB2 ASN 21 HB2 ASN 21 18.750 30.023 2.282 132 HB3 ASN 21 HB3 ASN 21 18.247 29.777 0.613 133 HD21 ASN 21 HD21 ASN 21 20.519 30.324 0.223 134 HD22 ASN 21 HD22 ASN 21 20.949 31.990 0.064 135 H ILE 22 H ILE 22 14.936 31.661 3.211 136 HA ILE 22 HA ILE 22 16.609 33.088 5.168 137 HB ILE 22 HB ILE 22 14.496 34.237 5.838 138 HG12 ILE 22 HG12 ILE 22 13.394 32.939 3.337 139 HG13 ILE 22 HG13 ILE 22 12.940 32.511 4.983 140 HG21 ILE 22 HG21 ILE 22 14.568 34.960 3.034 141 HG22 ILE 22 HG22 ILE 22 15.073 35.881 4.451 142 HG23 ILE 22 HG23 ILE 22 16.185 34.736 3.702 143 HD11 ILE 22 HD11 ILE 22 11.788 34.449 3.320 144 HD12 ILE 22 HD12 ILE 22 11.410 34.102 5.007 145 HD13 ILE 22 HD13 ILE 22 12.617 35.323 4.607 146 H ALA 23 H ALA 23 16.300 30.247 5.241 147 HA ALA 23 HA ALA 23 14.317 29.400 7.051 148 HB1 ALA 23 HB1 ALA 23 15.728 27.942 5.556 149 HB2 ALA 23 HB2 ALA 23 17.030 28.137 6.729 150 HB3 ALA 23 HB3 ALA 23 15.520 27.363 7.209 151 H GLY 24 H GLY 24 14.063 30.028 9.088 152 HA2 GLY 24 HA2 GLY 24 14.542 30.517 11.282 153 HA3 GLY 24 HA3 GLY 24 16.132 29.817 11.018 154 H MET 25 H MET 25 15.239 32.347 8.889 155 HA MET 25 HA MET 25 17.275 34.056 10.055 156 HB2 MET 25 HB2 MET 25 15.752 34.026 7.478 157 HB3 MET 25 HB3 MET 25 16.545 35.508 7.994 158 HG2 MET 25 HG2 MET 25 17.965 32.872 7.735 159 HG3 MET 25 HG3 MET 25 17.862 34.060 6.437 160 HE1 MET 25 HE1 MET 25 21.302 33.508 8.307 161 HE2 MET 25 HE2 MET 25 20.369 33.402 9.800 162 HE3 MET 25 HE3 MET 25 19.866 32.486 8.380 163 H SER 26 H SER 26 16.619 36.551 9.736 164 HA SER 26 HA SER 26 14.422 36.941 11.602 165 HB2 SER 26 HB2 SER 26 16.457 38.889 10.492 166 HB3 SER 26 HB3 SER 26 15.254 39.276 11.721 167 HG SER 26 HG SER 26 17.638 37.977 11.966 168 H ALA 27 H ALA 27 13.375 36.094 9.280 169 HA ALA 27 HA ALA 27 12.547 38.423 7.727 170 HB1 ALA 27 HB1 ALA 27 11.260 35.998 6.904 171 HB2 ALA 27 HB2 ALA 27 12.418 37.000 6.029 172 HB3 ALA 27 HB3 ALA 27 12.991 35.722 7.101 173 H ALA 28 H ALA 28 10.132 38.331 7.041 174 HA ALA 28 HA ALA 28 8.565 38.907 9.282 175 HB1 ALA 28 HB1 ALA 28 8.148 38.717 6.392 176 HB2 ALA 28 HB2 ALA 28 6.707 38.385 7.354 177 HB3 ALA 28 HB3 ALA 28 7.564 39.914 7.549 178 H THR 29 H THR 29 8.147 37.424 10.804 179 HA THR 29 HA THR 29 7.236 34.758 9.955 180 HB THR 29 HB THR 29 7.694 34.913 12.786 181 HG1 THR 29 HG1 THR 29 9.909 35.425 12.737 182 HG21 THR 29 HG21 THR 29 8.995 33.421 10.510 183 HG22 THR 29 HG22 THR 29 9.390 33.146 12.207 184 HG23 THR 29 HG23 THR 29 7.757 32.831 11.620 185 H PHE 30 H PHE 30 5.096 34.580 9.913 186 HA PHE 30 HA PHE 30 3.561 35.612 12.190 187 HB2 PHE 30 HB2 PHE 30 1.733 36.231 10.540 188 HB3 PHE 30 HB3 PHE 30 3.155 37.269 10.535 189 HD1 PHE 30 HD1 PHE 30 4.844 37.022 8.720 190 HD2 PHE 30 HD2 PHE 30 1.084 35.029 8.622 191 HE1 PHE 30 HE1 PHE 30 5.108 36.649 6.302 192 HE2 PHE 30 HE2 PHE 30 1.343 34.652 6.204 193 HZ PHE 30 HZ PHE 30 3.357 35.461 5.041 194 H LYS 31 H LYS 31 1.435 34.592 12.418 195 HA LYS 31 HA LYS 31 1.550 31.787 11.566 196 HB2 LYS 31 HB2 LYS 31 1.421 32.032 13.946 197 HB3 LYS 31 HB3 LYS 31 0.080 33.162 13.815 198 HG2 LYS 31 HG2 LYS 31 -1.384 31.415 13.049 199 HG3 LYS 31 HG3 LYS 31 -0.045 30.267 12.999 200 HD2 LYS 31 HD2 LYS 31 -0.109 29.908 15.221 201 HD3 LYS 31 HD3 LYS 31 -0.423 31.606 15.586 202 HE2 LYS 31 HE2 LYS 31 -2.480 29.687 14.503 203 HE3 LYS 31 HE3 LYS 31 -2.280 30.068 16.212 204 HZ1 LYS 31 HZ1 LYS 31 -2.465 32.467 14.772 205 HZ2 LYS 31 HZ2 LYS 31 -3.748 31.471 14.297 206 HZ3 LYS 31 HZ3 LYS 31 -3.534 31.853 15.931 207 H CYS 32 H CYS 32 0.233 31.086 10.027 208 HA CYS 32 HA CYS 32 -1.670 32.754 8.772 209 HB2 CYS 32 HB2 CYS 32 -0.407 30.827 7.718 210 HB3 CYS 32 HB3 CYS 32 -1.524 29.747 8.544 211 HG CYS 32 HG CYS 32 -2.593 32.158 6.371 212 HA PRO 33 HA PRO 33 -5.066 32.133 11.560 213 HB2 PRO 33 HB2 PRO 33 -6.932 33.416 10.062 214 HB3 PRO 33 HB3 PRO 33 -5.702 34.269 11.003 215 HG2 PRO 33 HG2 PRO 33 -5.746 33.634 8.078 216 HG3 PRO 33 HG3 PRO 33 -5.270 35.137 8.889 217 HD2 PRO 33 HD2 PRO 33 -3.463 33.335 7.984 218 HD3 PRO 33 HD3 PRO 33 -3.177 34.333 9.424 219 H ASP 34 H ASP 34 -4.650 30.781 8.496 220 HA ASP 34 HA ASP 34 -7.243 29.458 8.431 221 HB2 ASP 34 HB2 ASP 34 -5.890 30.353 6.387 222 HB3 ASP 34 HB3 ASP 34 -4.989 28.848 6.546 223 H CYS 35 H CYS 35 -3.813 28.492 8.517 224 HA CYS 35 HA CYS 35 -4.663 25.931 9.698 225 HB2 CYS 35 HB2 CYS 35 -2.373 25.133 8.896 226 HB3 CYS 35 HB3 CYS 35 -3.584 25.436 7.656 227 HG CYS 35 HG CYS 35 -1.350 26.380 6.487 228 H GLY 36 H GLY 36 -2.164 28.451 9.810 229 HA2 GLY 36 HA2 GLY 36 -1.468 29.370 11.922 230 HA3 GLY 36 HA3 GLY 36 -1.789 27.808 12.660 231 H GLN 37 H GLN 37 -0.167 27.853 9.617 232 HA GLN 37 HA GLN 37 2.186 26.699 10.835 233 HB2 GLN 37 HB2 GLN 37 1.516 27.267 7.942 234 HB3 GLN 37 HB3 GLN 37 2.948 26.405 8.491 235 HG2 GLN 37 HG2 GLN 37 0.368 25.361 9.453 236 HG3 GLN 37 HG3 GLN 37 0.677 25.202 7.725 237 HE21 GLN 37 HE21 GLN 37 1.163 23.859 10.743 238 HE22 GLN 37 HE22 GLN 37 2.394 22.719 10.330 239 H GLU 38 H GLU 38 4.256 27.539 10.808 240 HA GLU 38 HA GLU 38 4.480 30.355 10.998 241 HB2 GLU 38 HB2 GLU 38 5.937 28.325 11.973 242 HB3 GLU 38 HB3 GLU 38 6.932 28.733 10.582 243 HG2 GLU 38 HG2 GLU 38 7.900 30.142 12.034 244 HG3 GLU 38 HG3 GLU 38 6.549 31.185 11.596 245 H ILE 39 H ILE 39 4.428 31.705 9.335 246 HA ILE 39 HA ILE 39 5.523 30.836 6.752 247 HB ILE 39 HB ILE 39 3.822 33.273 7.266 248 HG12 ILE 39 HG12 ILE 39 2.944 30.523 6.356 249 HG13 ILE 39 HG13 ILE 39 2.611 31.229 7.934 250 HG21 ILE 39 HG21 ILE 39 5.230 33.141 5.186 251 HG22 ILE 39 HG22 ILE 39 4.257 31.749 4.707 252 HG23 ILE 39 HG23 ILE 39 3.497 33.327 4.915 253 HD11 ILE 39 HD11 ILE 39 0.764 31.295 6.185 254 HD12 ILE 39 HD12 ILE 39 1.125 32.791 7.045 255 HD13 ILE 39 HD13 ILE 39 1.719 32.554 5.402 256 H SER 40 H SER 40 7.396 31.622 6.062 257 HA SER 40 HA SER 40 8.494 34.000 7.404 258 HB2 SER 40 HB2 SER 40 10.714 33.141 6.616 259 HB3 SER 40 HB3 SER 40 9.890 32.058 7.738 260 HG SER 40 HG SER 40 9.751 31.800 4.918 261 H ARG 41 H ARG 41 8.425 35.808 6.263 262 HA ARG 41 HA ARG 41 8.584 35.629 3.326 263 HB2 ARG 41 HB2 ARG 41 7.125 37.598 5.088 264 HB3 ARG 41 HB3 ARG 41 7.385 37.859 3.369 265 HG2 ARG 41 HG2 ARG 41 6.205 35.675 2.968 266 HG3 ARG 41 HG3 ARG 41 5.772 35.689 4.679 267 HD2 ARG 41 HD2 ARG 41 4.977 37.648 2.540 268 HD3 ARG 41 HD3 ARG 41 3.932 36.615 3.514 269 HE ARG 41 HE ARG 41 5.308 38.282 5.261 270 HH11 ARG 41 HH11 ARG 41 2.976 38.558 2.691 271 HH12 ARG 41 HH12 ARG 41 2.242 39.989 3.335 272 HH21 ARG 41 HH21 ARG 41 4.350 40.165 6.119 273 HH22 ARG 41 HH22 ARG 41 3.025 40.903 5.284 274 H CYS 42 H CYS 42 10.390 36.402 2.477 275 HA CYS 42 HA CYS 42 12.384 37.704 3.974 276 HB2 CYS 42 HB2 CYS 42 12.497 36.357 1.715 277 HB3 CYS 42 HB3 CYS 42 12.287 37.948 0.993 278 HG CYS 42 HG CYS 42 14.770 38.554 1.069 279 H SER 43 H SER 43 13.342 39.842 3.413 280 HA SER 43 HA SER 43 11.611 41.922 3.932 281 HB2 SER 43 HB2 SER 43 14.262 42.038 2.473 282 HB3 SER 43 HB3 SER 43 13.431 43.428 3.172 283 HG SER 43 HG SER 43 14.163 42.877 5.059 284 H LYS 44 H LYS 44 12.828 40.830 0.784 285 HA LYS 44 HA LYS 44 11.721 42.783 -0.838 286 HB2 LYS 44 HB2 LYS 44 11.995 39.839 -1.473 287 HB3 LYS 44 HB3 LYS 44 11.823 41.136 -2.647 288 HG2 LYS 44 HG2 LYS 44 14.109 41.008 -0.704 289 HG3 LYS 44 HG3 LYS 44 14.154 40.236 -2.291 290 HD2 LYS 44 HD2 LYS 44 13.510 42.542 -3.214 291 HD3 LYS 44 HD3 LYS 44 13.969 43.159 -1.625 292 HE2 LYS 44 HE2 LYS 44 15.936 43.385 -2.813 293 HE3 LYS 44 HE3 LYS 44 16.160 41.820 -2.032 294 HZ1 LYS 44 HZ1 LYS 44 15.024 41.030 -4.273 295 HZ2 LYS 44 HZ2 LYS 44 15.745 42.448 -4.848 296 HZ3 LYS 44 HZ3 LYS 44 16.696 41.244 -4.136 297 H CYS 45 H CYS 45 10.218 39.954 0.605 298 HA CYS 45 HA CYS 45 7.847 39.867 -0.843 299 HB2 CYS 45 HB2 CYS 45 8.883 38.514 1.322 300 HB3 CYS 45 HB3 CYS 45 7.501 39.349 2.020 301 HG CYS 45 HG CYS 45 5.860 38.302 -0.218 302 H ARG 46 H ARG 46 8.921 42.130 1.539 303 HA ARG 46 HA ARG 46 6.598 43.154 2.583 304 HB2 ARG 46 HB2 ARG 46 9.136 44.552 1.748 305 HB3 ARG 46 HB3 ARG 46 7.833 45.383 2.586 306 HG2 ARG 46 HG2 ARG 46 8.080 43.969 4.503 307 HG3 ARG 46 HG3 ARG 46 9.248 42.953 3.656 308 HD2 ARG 46 HD2 ARG 46 10.882 44.650 3.662 309 HD3 ARG 46 HD3 ARG 46 9.706 45.888 4.102 310 HE ARG 46 HE ARG 46 9.640 44.177 6.203 311 HH11 ARG 46 HH11 ARG 46 12.195 45.873 4.554 312 HH12 ARG 46 HH12 ARG 46 13.194 46.006 5.963 313 HH21 ARG 46 HH21 ARG 46 10.946 44.346 8.065 314 HH22 ARG 46 HH22 ARG 46 12.483 45.137 7.960 315 H LYS 47 H LYS 47 7.955 43.662 -0.617 316 HA LYS 47 HA LYS 47 6.069 45.697 -1.350 317 HB2 LYS 47 HB2 LYS 47 8.369 45.445 -2.340 318 HB3 LYS 47 HB3 LYS 47 7.786 44.014 -3.179 319 HG2 LYS 47 HG2 LYS 47 6.150 45.355 -4.373 320 HG3 LYS 47 HG3 LYS 47 6.678 46.797 -3.502 321 HD2 LYS 47 HD2 LYS 47 8.622 46.970 -4.690 322 HD3 LYS 47 HD3 LYS 47 8.736 45.230 -4.965 323 HE2 LYS 47 HE2 LYS 47 8.270 46.317 -7.056 324 HE3 LYS 47 HE3 LYS 47 6.843 45.410 -6.558 325 HZ1 LYS 47 HZ1 LYS 47 6.896 48.152 -5.653 326 HZ2 LYS 47 HZ2 LYS 47 6.823 47.980 -7.335 327 HZ3 LYS 47 HZ3 LYS 47 5.638 47.268 -6.360 328 H GLN 48 H GLN 48 6.328 42.215 -1.742 329 HA GLN 48 HA GLN 48 4.026 42.058 -3.475 330 HB2 GLN 48 HB2 GLN 48 5.589 39.887 -2.065 331 HB3 GLN 48 HB3 GLN 48 4.332 39.613 -3.265 332 HG2 GLN 48 HG2 GLN 48 6.876 41.132 -3.785 333 HG3 GLN 48 HG3 GLN 48 6.638 39.423 -4.148 334 HE21 GLN 48 HE21 GLN 48 7.117 41.885 -5.820 335 HE22 GLN 48 HE22 GLN 48 5.884 41.826 -7.028 336 H SER 49 H SER 49 4.325 42.700 -0.295 337 HA SER 49 HA SER 49 2.602 40.996 1.052 338 HB2 SER 49 HB2 SER 49 3.913 42.655 2.241 339 HB3 SER 49 HB3 SER 49 3.041 43.965 1.445 340 HG SER 49 HG SER 49 1.985 43.780 3.313 341 H ASN 50 H ASN 50 1.902 43.574 -1.186 342 HA ASN 50 HA ASN 50 -0.735 44.150 -0.622 343 HB2 ASN 50 HB2 ASN 50 0.391 45.413 -2.307 344 HB3 ASN 50 HB3 ASN 50 0.700 43.973 -3.272 345 HD21 ASN 50 HD21 ASN 50 -0.305 44.713 -5.095 346 HD22 ASN 50 HD22 ASN 50 -2.013 44.944 -5.206 347 H LEU 51 H LEU 51 0.624 41.305 -2.112 348 HA LEU 51 HA LEU 51 -1.913 39.938 -1.849 349 HB2 LEU 51 HB2 LEU 51 -0.716 40.662 -4.465 350 HB3 LEU 51 HB3 LEU 51 -1.422 39.055 -4.308 351 HG LEU 51 HG LEU 51 -2.893 41.639 -3.794 352 HD11 LEU 51 HD11 LEU 51 -3.897 41.415 -5.912 353 HD12 LEU 51 HD12 LEU 51 -2.167 41.207 -6.182 354 HD13 LEU 51 HD13 LEU 51 -3.229 39.799 -6.146 355 HD21 LEU 51 HD21 LEU 51 -3.463 39.102 -2.893 356 HD22 LEU 51 HD22 LEU 51 -4.621 40.418 -3.084 357 HD23 LEU 51 HD23 LEU 51 -4.419 39.228 -4.370 358 H TYR 52 H TYR 52 -1.159 38.366 -0.556 359 HA TYR 52 HA TYR 52 1.181 36.834 -1.486 360 HB2 TYR 52 HB2 TYR 52 1.756 36.359 0.766 361 HB3 TYR 52 HB3 TYR 52 1.390 38.080 0.721 362 HD1 TYR 52 HD1 TYR 52 -1.060 38.734 1.354 363 HD2 TYR 52 HD2 TYR 52 0.761 35.030 2.384 364 HE1 TYR 52 HE1 TYR 52 -2.701 38.438 3.162 365 HE2 TYR 52 HE2 TYR 52 -0.875 34.722 4.194 366 HH TYR 52 HH TYR 52 -2.356 36.066 5.585 367 H GLU 53 H GLU 53 1.095 34.541 -0.313 368 HA GLU 53 HA GLU 53 -1.546 33.403 -0.147 369 HB2 GLU 53 HB2 GLU 53 -1.314 33.428 -2.554 370 HB3 GLU 53 HB3 GLU 53 0.280 32.695 -2.447 371 HG2 GLU 53 HG2 GLU 53 -0.805 30.688 -1.426 372 HG3 GLU 53 HG3 GLU 53 -2.364 31.423 -1.795 373 H CYS 54 H CYS 54 -1.433 32.004 1.467 374 HA CYS 54 HA CYS 54 0.965 31.126 2.626 375 HB2 CYS 54 HB2 CYS 54 -1.201 31.275 3.826 376 HB3 CYS 54 HB3 CYS 54 -1.784 29.894 2.904 377 HG CYS 54 HG CYS 54 1.053 29.535 4.730 378 HA PRO 55 HA PRO 55 1.871 27.939 -0.392 379 HB2 PRO 55 HB2 PRO 55 4.298 27.308 0.649 380 HB3 PRO 55 HB3 PRO 55 4.030 28.725 -0.373 381 HG2 PRO 55 HG2 PRO 55 4.208 28.546 2.610 382 HG3 PRO 55 HG3 PRO 55 4.917 29.749 1.517 383 HD2 PRO 55 HD2 PRO 55 2.651 30.216 2.925 384 HD3 PRO 55 HD3 PRO 55 2.941 30.921 1.322 385 H ASP 56 H ASP 56 1.369 27.720 2.966 386 HA ASP 56 HA ASP 56 1.903 24.894 3.200 387 HB2 ASP 56 HB2 ASP 56 1.611 27.017 4.999 388 HB3 ASP 56 HB3 ASP 56 0.224 25.974 5.300 389 H CYS 57 H CYS 57 -1.045 26.888 3.460 390 HA CYS 57 HA CYS 57 -2.608 24.511 2.708 391 HB2 CYS 57 HB2 CYS 57 -4.537 25.681 3.748 392 HB3 CYS 57 HB3 CYS 57 -3.232 25.369 4.886 393 HG CYS 57 HG CYS 57 -2.980 28.364 3.453 394 H GLY 58 H GLY 58 -1.191 26.503 0.952 395 HA2 GLY 58 HA2 GLY 58 -1.603 27.791 -0.920 396 HA3 GLY 58 HA3 GLY 58 -2.824 26.563 -1.221 397 H PHE 59 H PHE 59 -2.718 29.011 1.339 398 HA PHE 59 HA PHE 59 -5.397 29.861 0.571 399 HB2 PHE 59 HB2 PHE 59 -5.065 29.419 2.922 400 HB3 PHE 59 HB3 PHE 59 -3.682 30.508 2.975 401 HD1 PHE 59 HD1 PHE 59 -7.105 30.884 1.547 402 HD2 PHE 59 HD2 PHE 59 -4.204 32.291 4.326 403 HE1 PHE 59 HE1 PHE 59 -8.598 32.741 2.161 404 HE2 PHE 59 HE2 PHE 59 -5.693 34.150 4.944 405 HZ PHE 59 HZ PHE 59 -7.893 34.376 3.862 406 H MET 60 H MET 60 -5.349 31.252 -1.102 407 HA MET 60 HA MET 60 -3.291 33.244 -1.376 408 HB2 MET 60 HB2 MET 60 -5.868 32.906 -2.921 409 HB3 MET 60 HB3 MET 60 -4.515 33.933 -3.379 410 HG2 MET 60 HG2 MET 60 -3.244 32.189 -4.085 411 HG3 MET 60 HG3 MET 60 -3.962 31.058 -2.940 412 HE1 MET 60 HE1 MET 60 -5.765 32.579 -6.822 413 HE2 MET 60 HE2 MET 60 -6.701 33.040 -5.400 414 HE3 MET 60 HE3 MET 60 -5.007 33.512 -5.531 415 H GLY 61 H GLY 61 -3.283 35.185 -0.459 416 HA2 GLY 61 HA2 GLY 61 -5.865 36.455 0.174 417 HA3 GLY 61 HA3 GLY 61 -4.618 36.342 1.407 418 HA PRO 62 HA PRO 62 -4.211 40.335 -1.036 419 HB2 PRO 62 HB2 PRO 62 -4.539 42.008 1.077 420 HB3 PRO 62 HB3 PRO 62 -5.889 41.418 0.100 421 HG2 PRO 62 HG2 PRO 62 -4.902 40.442 2.752 422 HG3 PRO 62 HG3 PRO 62 -6.568 40.702 2.205 423 HD2 PRO 62 HD2 PRO 62 -5.424 38.249 2.277 424 HD3 PRO 62 HD3 PRO 62 -6.638 38.701 1.064 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -0.440 3.014 -5.694 2 HA2 GLY 1 HA2 GLY 1 0.689 4.514 -4.368 3 HA3 GLY 1 HA3 GLY 1 2.182 3.794 -4.950 4 H ALA 2 H ALA 2 2.321 6.390 -4.510 5 HA ALA 2 HA ALA 2 2.527 7.499 -7.203 6 HB1 ALA 2 HB1 ALA 2 1.317 9.445 -6.797 7 HB2 ALA 2 HB2 ALA 2 0.323 8.186 -6.064 8 HB3 ALA 2 HB3 ALA 2 1.339 9.210 -5.049 9 H MET 3 H MET 3 3.890 9.441 -7.281 10 HA MET 3 HA MET 3 6.121 9.169 -5.451 11 HB2 MET 3 HB2 MET 3 6.257 9.475 -8.011 12 HB3 MET 3 HB3 MET 3 5.935 11.173 -7.686 13 HG2 MET 3 HG2 MET 3 7.970 11.523 -6.724 14 HG3 MET 3 HG3 MET 3 8.125 9.854 -6.182 15 HE1 MET 3 HE1 MET 3 11.071 10.938 -8.779 16 HE2 MET 3 HE2 MET 3 10.211 11.884 -7.565 17 HE3 MET 3 HE3 MET 3 10.861 10.299 -7.148 18 H GLY 4 H GLY 4 6.868 10.718 -4.041 19 HA2 GLY 4 HA2 GLY 4 5.389 13.240 -3.840 20 HA3 GLY 4 HA3 GLY 4 5.394 12.178 -2.440 21 H SER 5 H SER 5 7.628 13.760 -4.714 22 HA SER 5 HA SER 5 9.684 13.804 -2.639 23 HB2 SER 5 HB2 SER 5 11.057 14.822 -4.577 24 HB3 SER 5 HB3 SER 5 10.602 13.122 -4.694 25 HG SER 5 HG SER 5 9.165 15.265 -5.878 26 H GLU 6 H GLU 6 7.790 16.007 -4.653 27 HA GLU 6 HA GLU 6 8.930 18.330 -3.329 28 HB2 GLU 6 HB2 GLU 6 7.544 19.634 -4.873 29 HB3 GLU 6 HB3 GLU 6 8.510 18.443 -5.733 30 HG2 GLU 6 HG2 GLU 6 6.230 17.046 -5.320 31 HG3 GLU 6 HG3 GLU 6 5.600 18.686 -5.471 32 H SER 7 H SER 7 5.901 16.543 -3.457 33 HA SER 7 HA SER 7 4.206 18.269 -2.129 34 HB2 SER 7 HB2 SER 7 4.290 15.266 -1.758 35 HB3 SER 7 HB3 SER 7 2.899 16.321 -1.507 36 HG SER 7 HG SER 7 2.517 16.256 -3.568 37 H GLU 8 H GLU 8 6.671 16.134 -0.809 38 HA GLU 8 HA GLU 8 5.994 16.313 1.899 39 HB2 GLU 8 HB2 GLU 8 8.535 15.749 0.420 40 HB3 GLU 8 HB3 GLU 8 8.580 15.964 2.164 41 HG2 GLU 8 HG2 GLU 8 6.753 14.001 0.813 42 HG3 GLU 8 HG3 GLU 8 8.389 13.595 1.330 43 H GLN 9 H GLN 9 6.915 17.571 3.597 44 HA GLN 9 HA GLN 9 8.291 20.028 2.842 45 HB2 GLN 9 HB2 GLN 9 5.669 19.999 4.346 46 HB3 GLN 9 HB3 GLN 9 6.696 21.412 4.140 47 HG2 GLN 9 HG2 GLN 9 5.507 19.873 1.849 48 HG3 GLN 9 HG3 GLN 9 4.739 21.274 2.593 49 HE21 GLN 9 HE21 GLN 9 5.352 21.269 -0.069 50 HE22 GLN 9 HE22 GLN 9 6.635 22.384 -0.376 51 H ARG 10 H ARG 10 9.739 20.674 4.331 52 HA ARG 10 HA ARG 10 10.278 18.976 6.560 53 HB2 ARG 10 HB2 ARG 10 11.488 21.522 5.519 54 HB3 ARG 10 HB3 ARG 10 11.991 20.854 7.066 55 HG2 ARG 10 HG2 ARG 10 13.551 19.950 5.655 56 HG3 ARG 10 HG3 ARG 10 12.338 18.668 5.686 57 HD2 ARG 10 HD2 ARG 10 11.565 19.174 3.560 58 HD3 ARG 10 HD3 ARG 10 12.200 20.818 3.612 59 HE ARG 10 HE ARG 10 14.409 19.204 3.711 60 HH11 ARG 10 HH11 ARG 10 11.722 19.611 1.535 61 HH12 ARG 10 HH12 ARG 10 12.620 19.142 0.130 62 HH21 ARG 10 HH21 ARG 10 15.602 18.584 1.868 63 HH22 ARG 10 HH22 ARG 10 14.827 18.557 0.321 64 H HIS 11 H HIS 11 10.952 20.337 8.686 65 HA HIS 11 HA HIS 11 8.543 21.848 9.460 66 HB2 HIS 11 HB2 HIS 11 10.145 19.799 10.971 67 HB3 HIS 11 HB3 HIS 11 9.142 20.973 11.818 68 HD1 HIS 11 HD1 HIS 11 6.550 20.785 11.455 69 HD2 HIS 11 HD2 HIS 11 8.781 17.709 9.775 70 HE1 HIS 11 HE1 HIS 11 4.894 18.971 10.914 71 H ALA 12 H ALA 12 9.883 23.686 8.653 72 HA ALA 12 HA ALA 12 11.203 24.941 10.893 73 HB1 ALA 12 HB1 ALA 12 13.162 25.543 9.234 74 HB2 ALA 12 HB2 ALA 12 13.200 24.070 10.203 75 HB3 ALA 12 HB3 ALA 12 12.712 23.999 8.510 76 H HIS 13 H HIS 13 11.762 27.226 10.415 77 HA HIS 13 HA HIS 13 9.611 28.500 9.060 78 HB2 HIS 13 HB2 HIS 13 12.055 29.421 10.513 79 HB3 HIS 13 HB3 HIS 13 11.193 30.572 9.496 80 HD1 HIS 13 HD1 HIS 13 11.197 31.286 12.352 81 HD2 HIS 13 HD2 HIS 13 8.363 28.694 10.769 82 HE1 HIS 13 HE1 HIS 13 9.255 31.358 13.948 83 H GLN 14 H GLN 14 9.504 28.334 6.899 84 HA GLN 14 HA GLN 14 11.845 29.232 5.360 85 HB2 GLN 14 HB2 GLN 14 10.232 26.762 5.064 86 HB3 GLN 14 HB3 GLN 14 10.680 27.590 3.578 87 HG2 GLN 14 HG2 GLN 14 12.795 26.914 3.710 88 HG3 GLN 14 HG3 GLN 14 12.905 27.303 5.426 89 HE21 GLN 14 HE21 GLN 14 12.969 25.686 6.831 90 HE22 GLN 14 HE22 GLN 14 12.635 24.030 6.472 91 H CYS 15 H CYS 15 11.205 29.882 3.083 92 HA CYS 15 HA CYS 15 9.251 31.914 3.226 93 HB2 CYS 15 HB2 CYS 15 11.310 31.824 1.720 94 HB3 CYS 15 HB3 CYS 15 10.373 30.766 0.672 95 HG CYS 15 HG CYS 15 8.748 33.573 1.430 96 H VAL 16 H VAL 16 7.189 32.053 2.446 97 HA VAL 16 HA VAL 16 5.723 29.612 2.198 98 HB VAL 16 HB VAL 16 3.758 31.028 1.871 99 HG11 VAL 16 HG11 VAL 16 3.672 31.886 4.024 100 HG12 VAL 16 HG12 VAL 16 4.945 30.671 4.144 101 HG13 VAL 16 HG13 VAL 16 5.365 32.378 4.004 102 HG21 VAL 16 HG21 VAL 16 5.755 32.951 1.050 103 HG22 VAL 16 HG22 VAL 16 4.012 32.955 0.782 104 HG23 VAL 16 HG23 VAL 16 4.676 33.622 2.273 105 H SER 17 H SER 17 7.121 31.883 -0.024 106 HA SER 17 HA SER 17 5.585 31.029 -2.299 107 HB2 SER 17 HB2 SER 17 7.060 33.258 -1.770 108 HB3 SER 17 HB3 SER 17 8.178 32.352 -2.789 109 HG SER 17 HG SER 17 6.553 32.242 -4.370 110 H CYS 18 H CYS 18 9.065 30.783 -1.540 111 HA CYS 18 HA CYS 18 9.161 28.355 -3.198 112 HB2 CYS 18 HB2 CYS 18 10.634 30.102 -4.009 113 HB3 CYS 18 HB3 CYS 18 11.355 30.282 -2.414 114 HG CYS 18 HG CYS 18 12.798 28.793 -4.631 115 H GLY 19 H GLY 19 11.273 29.548 -0.598 116 HA2 GLY 19 HA2 GLY 19 10.665 28.101 1.555 117 HA3 GLY 19 HA3 GLY 19 11.357 26.860 0.521 118 H ILE 20 H ILE 20 12.374 30.234 0.774 119 HA ILE 20 HA ILE 20 15.101 29.638 0.899 120 HB ILE 20 HB ILE 20 13.688 32.118 1.887 121 HG12 ILE 20 HG12 ILE 20 14.927 32.754 -0.472 122 HG13 ILE 20 HG13 ILE 20 14.409 31.100 -0.777 123 HG21 ILE 20 HG21 ILE 20 15.979 33.140 1.360 124 HG22 ILE 20 HG22 ILE 20 15.817 32.204 2.845 125 HG23 ILE 20 HG23 ILE 20 16.583 31.485 1.429 126 HD11 ILE 20 HD11 ILE 20 12.395 32.884 0.417 127 HD12 ILE 20 HD12 ILE 20 12.881 33.245 -1.240 128 HD13 ILE 20 HD13 ILE 20 12.232 31.655 -0.837 129 H ASN 21 H ASN 21 16.574 29.505 2.564 130 HA ASN 21 HA ASN 21 15.561 28.541 5.067 131 HB2 ASN 21 HB2 ASN 21 17.570 27.561 4.058 132 HB3 ASN 21 HB3 ASN 21 18.401 29.109 4.188 133 HD21 ASN 21 HD21 ASN 21 20.019 28.179 5.452 134 HD22 ASN 21 HD22 ASN 21 19.758 27.772 7.111 135 H ILE 22 H ILE 22 14.418 30.701 5.393 136 HA ILE 22 HA ILE 22 16.207 32.680 6.627 137 HB ILE 22 HB ILE 22 14.203 34.183 6.582 138 HG12 ILE 22 HG12 ILE 22 13.025 32.115 4.723 139 HG13 ILE 22 HG13 ILE 22 12.571 32.245 6.418 140 HG21 ILE 22 HG21 ILE 22 14.430 33.577 3.762 141 HG22 ILE 22 HG22 ILE 22 15.004 34.979 4.664 142 HG23 ILE 22 HG23 ILE 22 15.996 33.524 4.571 143 HD11 ILE 22 HD11 ILE 22 11.370 33.533 4.323 144 HD12 ILE 22 HD12 ILE 22 11.224 33.967 6.026 145 HD13 ILE 22 HD13 ILE 22 12.413 34.780 5.008 146 H ALA 23 H ALA 23 15.591 30.230 7.967 147 HA ALA 23 HA ALA 23 13.524 30.621 9.885 148 HB1 ALA 23 HB1 ALA 23 13.954 28.405 9.783 149 HB2 ALA 23 HB2 ALA 23 15.663 28.642 9.419 150 HB3 ALA 23 HB3 ALA 23 15.086 28.793 11.079 151 H GLY 24 H GLY 24 13.555 32.108 11.434 152 HA2 GLY 24 HA2 GLY 24 14.282 33.358 13.222 153 HA3 GLY 24 HA3 GLY 24 15.671 32.286 13.319 154 H MET 25 H MET 25 15.162 33.806 10.292 155 HA MET 25 HA MET 25 17.373 35.661 10.876 156 HB2 MET 25 HB2 MET 25 16.552 34.444 8.232 157 HB3 MET 25 HB3 MET 25 17.887 35.565 8.467 158 HG2 MET 25 HG2 MET 25 18.799 33.829 10.114 159 HG3 MET 25 HG3 MET 25 17.640 32.725 9.377 160 HE1 MET 25 HE1 MET 25 20.242 35.274 8.889 161 HE2 MET 25 HE2 MET 25 21.456 34.486 7.881 162 HE3 MET 25 HE3 MET 25 20.162 35.423 7.134 163 H SER 26 H SER 26 17.353 37.529 9.139 164 HA SER 26 HA SER 26 15.083 39.113 9.709 165 HB2 SER 26 HB2 SER 26 17.483 39.443 7.938 166 HB3 SER 26 HB3 SER 26 16.158 40.602 7.847 167 HG SER 26 HG SER 26 17.857 41.146 9.366 168 H ALA 27 H ALA 27 13.148 39.032 8.800 169 HA ALA 27 HA ALA 27 12.673 39.097 6.041 170 HB1 ALA 27 HB1 ALA 27 11.668 36.475 6.908 171 HB2 ALA 27 HB2 ALA 27 12.352 36.977 5.362 172 HB3 ALA 27 HB3 ALA 27 13.417 36.583 6.712 173 H ALA 28 H ALA 28 10.436 39.221 5.520 174 HA ALA 28 HA ALA 28 8.831 40.456 7.425 175 HB1 ALA 28 HB1 ALA 28 8.202 39.171 4.788 176 HB2 ALA 28 HB2 ALA 28 6.947 39.919 5.777 177 HB3 ALA 28 HB3 ALA 28 8.300 40.886 5.189 178 H THR 29 H THR 29 8.427 39.410 9.306 179 HA THR 29 HA THR 29 7.209 36.734 9.156 180 HB THR 29 HB THR 29 8.001 37.732 11.812 181 HG1 THR 29 HG1 THR 29 9.909 38.364 11.123 182 HG21 THR 29 HG21 THR 29 8.684 35.178 10.355 183 HG22 THR 29 HG22 THR 29 8.776 35.475 12.091 184 HG23 THR 29 HG23 THR 29 7.207 35.421 11.288 185 H PHE 30 H PHE 30 5.224 36.350 10.018 186 HA PHE 30 HA PHE 30 3.911 38.335 11.667 187 HB2 PHE 30 HB2 PHE 30 1.953 38.527 10.155 188 HB3 PHE 30 HB3 PHE 30 3.419 39.208 9.457 189 HD1 PHE 30 HD1 PHE 30 4.698 37.831 7.769 190 HD2 PHE 30 HD2 PHE 30 0.762 36.846 9.057 191 HE1 PHE 30 HE1 PHE 30 4.402 36.422 5.774 192 HE2 PHE 30 HE2 PHE 30 0.460 35.434 7.064 193 HZ PHE 30 HZ PHE 30 2.281 35.222 5.419 194 H LYS 31 H LYS 31 1.503 37.556 11.996 195 HA LYS 31 HA LYS 31 1.620 34.649 12.466 196 HB2 LYS 31 HB2 LYS 31 1.603 35.795 14.566 197 HB3 LYS 31 HB3 LYS 31 0.293 36.849 14.050 198 HG2 LYS 31 HG2 LYS 31 -1.210 34.900 13.970 199 HG3 LYS 31 HG3 LYS 31 0.107 33.888 14.568 200 HD2 LYS 31 HD2 LYS 31 -1.261 34.465 16.436 201 HD3 LYS 31 HD3 LYS 31 0.235 35.393 16.568 202 HE2 LYS 31 HE2 LYS 31 -0.803 37.386 15.985 203 HE3 LYS 31 HE3 LYS 31 -2.157 36.568 15.207 204 HZ1 LYS 31 HZ1 LYS 31 -1.679 37.053 18.067 205 HZ2 LYS 31 HZ2 LYS 31 -3.088 37.288 17.161 206 HZ3 LYS 31 HZ3 LYS 31 -2.614 35.723 17.598 207 H CYS 32 H CYS 32 0.189 33.435 11.424 208 HA CYS 32 HA CYS 32 -1.706 34.531 9.641 209 HB2 CYS 32 HB2 CYS 32 -0.573 32.269 9.466 210 HB3 CYS 32 HB3 CYS 32 -1.700 31.701 10.692 211 HG CYS 32 HG CYS 32 -3.726 32.961 8.671 212 HA PRO 33 HA PRO 33 -4.961 35.332 12.557 213 HB2 PRO 33 HB2 PRO 33 -6.824 36.067 10.725 214 HB3 PRO 33 HB3 PRO 33 -5.497 37.124 11.223 215 HG2 PRO 33 HG2 PRO 33 -5.737 35.404 8.785 216 HG3 PRO 33 HG3 PRO 33 -5.128 37.063 8.928 217 HD2 PRO 33 HD2 PRO 33 -3.484 34.918 8.757 218 HD3 PRO 33 HD3 PRO 33 -3.061 36.374 9.680 219 H ASP 34 H ASP 34 -4.777 32.852 10.288 220 HA ASP 34 HA ASP 34 -7.451 31.817 10.790 221 HB2 ASP 34 HB2 ASP 34 -6.081 31.715 8.549 222 HB3 ASP 34 HB3 ASP 34 -5.351 30.295 9.293 223 H CYS 35 H CYS 35 -4.091 30.703 11.210 224 HA CYS 35 HA CYS 35 -5.055 28.903 13.334 225 HB2 CYS 35 HB2 CYS 35 -2.874 27.661 12.886 226 HB3 CYS 35 HB3 CYS 35 -4.107 27.555 11.635 227 HG CYS 35 HG CYS 35 -2.853 29.626 10.088 228 H GLY 36 H GLY 36 -2.410 31.069 12.384 229 HA2 GLY 36 HA2 GLY 36 -1.543 32.688 13.930 230 HA3 GLY 36 HA3 GLY 36 -1.944 31.591 15.243 231 H GLN 37 H GLN 37 -0.461 30.260 12.431 232 HA GLN 37 HA GLN 37 1.854 29.505 13.987 233 HB2 GLN 37 HB2 GLN 37 1.201 28.924 11.094 234 HB3 GLN 37 HB3 GLN 37 2.469 28.160 12.042 235 HG2 GLN 37 HG2 GLN 37 -0.346 28.010 12.999 236 HG3 GLN 37 HG3 GLN 37 0.172 26.976 11.668 237 HE21 GLN 37 HE21 GLN 37 0.485 27.681 15.045 238 HE22 GLN 37 HE22 GLN 37 1.354 26.252 15.476 239 H GLU 38 H GLU 38 3.720 30.561 14.037 240 HA GLU 38 HA GLU 38 4.192 33.007 12.857 241 HB2 GLU 38 HB2 GLU 38 5.476 31.902 14.752 242 HB3 GLU 38 HB3 GLU 38 6.380 31.038 13.516 243 HG2 GLU 38 HG2 GLU 38 7.337 33.017 12.683 244 HG3 GLU 38 HG3 GLU 38 6.198 34.032 13.567 245 H ILE 39 H ILE 39 4.264 33.502 10.774 246 HA ILE 39 HA ILE 39 5.336 31.548 8.868 247 HB ILE 39 HB ILE 39 3.911 34.102 8.157 248 HG12 ILE 39 HG12 ILE 39 2.712 31.381 8.715 249 HG13 ILE 39 HG13 ILE 39 2.430 32.856 9.632 250 HG21 ILE 39 HG21 ILE 39 3.500 31.831 6.431 251 HG22 ILE 39 HG22 ILE 39 4.151 33.426 6.053 252 HG23 ILE 39 HG23 ILE 39 5.220 32.156 6.648 253 HD11 ILE 39 HD11 ILE 39 1.789 33.409 6.943 254 HD12 ILE 39 HD12 ILE 39 1.041 31.869 7.362 255 HD13 ILE 39 HD13 ILE 39 0.706 33.304 8.331 256 H SER 40 H SER 40 7.107 31.934 7.644 257 HA SER 40 HA SER 40 8.498 34.495 8.083 258 HB2 SER 40 HB2 SER 40 9.797 31.842 7.438 259 HB3 SER 40 HB3 SER 40 10.600 33.336 7.918 260 HG SER 40 HG SER 40 9.709 33.130 9.958 261 H ARG 41 H ARG 41 8.512 35.741 6.344 262 HA ARG 41 HA ARG 41 8.564 34.459 3.691 263 HB2 ARG 41 HB2 ARG 41 7.295 37.043 4.594 264 HB3 ARG 41 HB3 ARG 41 7.538 36.641 2.899 265 HG2 ARG 41 HG2 ARG 41 6.201 34.548 3.323 266 HG3 ARG 41 HG3 ARG 41 5.795 35.232 4.898 267 HD2 ARG 41 HD2 ARG 41 5.101 36.281 2.169 268 HD3 ARG 41 HD3 ARG 41 4.009 35.802 3.467 269 HE ARG 41 HE ARG 41 5.477 37.867 4.504 270 HH11 ARG 41 HH11 ARG 41 3.421 37.423 1.730 271 HH12 ARG 41 HH12 ARG 41 2.899 39.074 1.689 272 HH21 ARG 41 HH21 ARG 41 4.797 40.044 4.461 273 HH22 ARG 41 HH22 ARG 41 3.683 40.564 3.243 274 H CYS 42 H CYS 42 10.370 34.737 2.574 275 HA CYS 42 HA CYS 42 12.507 36.339 3.475 276 HB2 CYS 42 HB2 CYS 42 12.451 34.238 1.890 277 HB3 CYS 42 HB3 CYS 42 12.329 35.452 0.623 278 HG CYS 42 HG CYS 42 14.972 34.781 0.659 279 H SER 43 H SER 43 13.593 38.026 2.139 280 HA SER 43 HA SER 43 12.032 40.278 1.847 281 HB2 SER 43 HB2 SER 43 14.503 39.845 0.177 282 HB3 SER 43 HB3 SER 43 13.916 41.342 0.903 283 HG SER 43 HG SER 43 15.624 40.540 2.123 284 H LYS 44 H LYS 44 13.053 37.991 -0.665 285 HA LYS 44 HA LYS 44 12.016 39.274 -2.892 286 HB2 LYS 44 HB2 LYS 44 12.194 36.311 -2.318 287 HB3 LYS 44 HB3 LYS 44 11.865 36.999 -3.903 288 HG2 LYS 44 HG2 LYS 44 14.369 37.442 -2.289 289 HG3 LYS 44 HG3 LYS 44 14.203 36.341 -3.659 290 HD2 LYS 44 HD2 LYS 44 13.489 38.375 -5.008 291 HD3 LYS 44 HD3 LYS 44 14.063 39.347 -3.651 292 HE2 LYS 44 HE2 LYS 44 15.905 39.283 -5.059 293 HE3 LYS 44 HE3 LYS 44 16.247 37.993 -3.907 294 HZ1 LYS 44 HZ1 LYS 44 15.290 36.423 -5.551 295 HZ2 LYS 44 HZ2 LYS 44 15.192 37.694 -6.664 296 HZ3 LYS 44 HZ3 LYS 44 16.700 37.190 -6.085 297 H CYS 45 H CYS 45 10.395 37.302 -0.480 298 HA CYS 45 HA CYS 45 7.973 36.851 -1.770 299 HB2 CYS 45 HB2 CYS 45 9.004 36.342 0.743 300 HB3 CYS 45 HB3 CYS 45 7.676 37.447 1.078 301 HG CYS 45 HG CYS 45 5.902 35.756 -0.540 302 H ARG 46 H ARG 46 9.271 39.752 -0.412 303 HA ARG 46 HA ARG 46 7.053 41.249 0.203 304 HB2 ARG 46 HB2 ARG 46 9.638 42.062 -1.119 305 HB3 ARG 46 HB3 ARG 46 8.420 43.230 -0.622 306 HG2 ARG 46 HG2 ARG 46 9.303 41.281 1.417 307 HG3 ARG 46 HG3 ARG 46 10.467 42.513 0.925 308 HD2 ARG 46 HD2 ARG 46 9.424 43.657 2.592 309 HD3 ARG 46 HD3 ARG 46 8.362 44.092 1.254 310 HE ARG 46 HE ARG 46 7.473 41.721 2.538 311 HH11 ARG 46 HH11 ARG 46 7.578 45.184 2.882 312 HH12 ARG 46 HH12 ARG 46 6.157 45.260 3.869 313 HH21 ARG 46 HH21 ARG 46 5.600 41.808 3.837 314 HH22 ARG 46 HH22 ARG 46 5.033 43.339 4.413 315 H LYS 47 H LYS 47 8.332 40.452 -2.971 316 HA LYS 47 HA LYS 47 6.557 42.201 -4.391 317 HB2 LYS 47 HB2 LYS 47 8.784 41.447 -5.254 318 HB3 LYS 47 HB3 LYS 47 8.108 39.836 -5.456 319 HG2 LYS 47 HG2 LYS 47 8.006 40.823 -7.576 320 HG3 LYS 47 HG3 LYS 47 6.360 40.917 -6.945 321 HD2 LYS 47 HD2 LYS 47 6.873 43.252 -6.198 322 HD3 LYS 47 HD3 LYS 47 8.410 43.127 -7.058 323 HE2 LYS 47 HE2 LYS 47 6.993 42.503 -9.100 324 HE3 LYS 47 HE3 LYS 47 5.622 43.114 -8.175 325 HZ1 LYS 47 HZ1 LYS 47 6.937 45.219 -7.918 326 HZ2 LYS 47 HZ2 LYS 47 8.016 44.612 -9.072 327 HZ3 LYS 47 HZ3 LYS 47 6.399 44.890 -9.488 328 H GLN 48 H GLN 48 6.555 38.820 -3.442 329 HA GLN 48 HA GLN 48 4.194 38.199 -4.979 330 HB2 GLN 48 HB2 GLN 48 5.877 36.680 -3.006 331 HB3 GLN 48 HB3 GLN 48 4.334 36.043 -3.558 332 HG2 GLN 48 HG2 GLN 48 6.305 36.932 -5.595 333 HG3 GLN 48 HG3 GLN 48 6.594 35.415 -4.744 334 HE21 GLN 48 HE21 GLN 48 5.335 36.664 -7.457 335 HE22 GLN 48 HE22 GLN 48 4.155 35.461 -7.836 336 H SER 49 H SER 49 4.636 39.979 -2.287 337 HA SER 49 HA SER 49 2.841 39.060 -0.386 338 HB2 SER 49 HB2 SER 49 3.326 41.954 -1.132 339 HB3 SER 49 HB3 SER 49 2.711 41.358 0.409 340 HG SER 49 HG SER 49 4.876 41.688 0.682 341 H ASN 50 H ASN 50 2.250 40.647 -3.437 342 HA ASN 50 HA ASN 50 -0.328 41.576 -3.127 343 HB2 ASN 50 HB2 ASN 50 0.612 40.154 -5.617 344 HB3 ASN 50 HB3 ASN 50 -0.538 41.483 -5.496 345 HD21 ASN 50 HD21 ASN 50 0.728 43.250 -3.897 346 HD22 ASN 50 HD22 ASN 50 2.181 43.807 -4.647 347 H LEU 51 H LEU 51 0.803 38.293 -3.436 348 HA LEU 51 HA LEU 51 -1.810 37.306 -2.681 349 HB2 LEU 51 HB2 LEU 51 -0.553 36.727 -5.338 350 HB3 LEU 51 HB3 LEU 51 -1.633 35.562 -4.575 351 HG LEU 51 HG LEU 51 -2.355 38.380 -5.379 352 HD11 LEU 51 HD11 LEU 51 -2.325 37.301 -7.391 353 HD12 LEU 51 HD12 LEU 51 -2.652 35.722 -6.677 354 HD13 LEU 51 HD13 LEU 51 -3.956 36.896 -6.855 355 HD21 LEU 51 HD21 LEU 51 -4.039 38.180 -3.945 356 HD22 LEU 51 HD22 LEU 51 -4.642 36.840 -4.919 357 HD23 LEU 51 HD23 LEU 51 -3.576 36.525 -3.549 358 H TYR 52 H TYR 52 -1.217 36.189 -0.934 359 HA TYR 52 HA TYR 52 0.978 34.245 -1.223 360 HB2 TYR 52 HB2 TYR 52 1.700 34.653 0.995 361 HB3 TYR 52 HB3 TYR 52 1.462 36.243 0.280 362 HD1 TYR 52 HD1 TYR 52 -0.953 37.264 0.669 363 HD2 TYR 52 HD2 TYR 52 0.827 34.256 3.095 364 HE1 TYR 52 HE1 TYR 52 -2.456 37.874 2.517 365 HE2 TYR 52 HE2 TYR 52 -0.672 34.857 4.950 366 HH TYR 52 HH TYR 52 -3.311 37.099 4.528 367 H GLU 53 H GLU 53 0.803 32.598 0.719 368 HA GLU 53 HA GLU 53 -1.890 31.936 1.494 369 HB2 GLU 53 HB2 GLU 53 -1.986 31.000 -0.704 370 HB3 GLU 53 HB3 GLU 53 -0.404 30.256 -0.522 371 HG2 GLU 53 HG2 GLU 53 -1.320 28.785 1.223 372 HG3 GLU 53 HG3 GLU 53 -2.909 29.502 0.964 373 H CYS 54 H CYS 54 -1.773 31.147 3.482 374 HA CYS 54 HA CYS 54 0.637 30.573 4.785 375 HB2 CYS 54 HB2 CYS 54 -1.453 31.259 5.932 376 HB3 CYS 54 HB3 CYS 54 -2.144 29.681 5.575 377 HG CYS 54 HG CYS 54 -1.485 29.587 8.232 378 HA PRO 55 HA PRO 55 1.237 26.485 3.044 379 HB2 PRO 55 HB2 PRO 55 3.692 26.117 4.143 380 HB3 PRO 55 HB3 PRO 55 3.423 27.101 2.700 381 HG2 PRO 55 HG2 PRO 55 3.766 27.966 5.545 382 HG3 PRO 55 HG3 PRO 55 4.459 28.668 4.071 383 HD2 PRO 55 HD2 PRO 55 2.300 29.729 5.314 384 HD3 PRO 55 HD3 PRO 55 2.525 29.810 3.555 385 H ASP 56 H ASP 56 0.912 27.483 6.279 386 HA ASP 56 HA ASP 56 1.348 24.892 7.473 387 HB2 ASP 56 HB2 ASP 56 1.455 27.408 8.471 388 HB3 ASP 56 HB3 ASP 56 -0.164 26.939 8.980 389 H CYS 57 H CYS 57 -1.498 27.013 7.103 390 HA CYS 57 HA CYS 57 -3.196 24.619 7.315 391 HB2 CYS 57 HB2 CYS 57 -5.013 26.165 7.954 392 HB3 CYS 57 HB3 CYS 57 -3.643 26.266 9.053 393 HG CYS 57 HG CYS 57 -5.153 28.723 7.820 394 H GLY 58 H GLY 58 -1.788 25.800 4.915 395 HA2 GLY 58 HA2 GLY 58 -2.246 26.349 2.721 396 HA3 GLY 58 HA3 GLY 58 -3.520 25.155 2.917 397 H PHE 59 H PHE 59 -3.206 28.349 4.422 398 HA PHE 59 HA PHE 59 -5.891 28.996 3.494 399 HB2 PHE 59 HB2 PHE 59 -5.510 29.428 5.819 400 HB3 PHE 59 HB3 PHE 59 -4.035 30.323 5.471 401 HD1 PHE 59 HD1 PHE 59 -7.603 30.442 4.370 402 HD2 PHE 59 HD2 PHE 59 -4.201 32.581 5.772 403 HE1 PHE 59 HE1 PHE 59 -8.894 32.534 4.300 404 HE2 PHE 59 HE2 PHE 59 -5.487 34.677 5.705 405 HZ PHE 59 HZ PHE 59 -7.837 34.656 4.967 406 H MET 60 H MET 60 -5.958 29.776 1.479 407 HA MET 60 HA MET 60 -3.827 31.331 0.352 408 HB2 MET 60 HB2 MET 60 -6.603 30.741 -0.689 409 HB3 MET 60 HB3 MET 60 -5.323 31.515 -1.613 410 HG2 MET 60 HG2 MET 60 -4.055 29.564 -1.721 411 HG3 MET 60 HG3 MET 60 -4.935 28.811 -0.393 412 HE1 MET 60 HE1 MET 60 -5.170 26.462 -2.334 413 HE2 MET 60 HE2 MET 60 -5.948 26.915 -0.817 414 HE3 MET 60 HE3 MET 60 -6.927 26.414 -2.196 415 H GLY 61 H GLY 61 -3.643 33.494 0.190 416 HA2 GLY 61 HA2 GLY 61 -5.971 35.182 0.730 417 HA3 GLY 61 HA3 GLY 61 -4.590 35.346 1.804 418 HA PRO 62 HA PRO 62 -4.193 38.161 -1.952 419 HB2 PRO 62 HB2 PRO 62 -4.240 40.508 -0.589 420 HB3 PRO 62 HB3 PRO 62 -5.701 39.724 -1.202 421 HG2 PRO 62 HG2 PRO 62 -4.554 39.695 1.563 422 HG3 PRO 62 HG3 PRO 62 -6.243 39.882 1.053 423 HD2 PRO 62 HD2 PRO 62 -5.246 37.533 1.959 424 HD3 PRO 62 HD3 PRO 62 -6.529 37.617 0.735 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -2.867 14.981 -9.832 2 HA2 GLY 1 HA2 GLY 1 -3.376 14.194 -7.253 3 HA3 GLY 1 HA3 GLY 1 -1.793 13.522 -7.614 4 H ALA 2 H ALA 2 -2.029 15.310 -5.582 5 HA ALA 2 HA ALA 2 -0.800 17.743 -6.706 6 HB1 ALA 2 HB1 ALA 2 -2.723 17.427 -4.431 7 HB2 ALA 2 HB2 ALA 2 -1.633 18.812 -4.513 8 HB3 ALA 2 HB3 ALA 2 -2.796 18.527 -5.808 9 H MET 3 H MET 3 1.333 17.408 -6.445 10 HA MET 3 HA MET 3 2.370 16.106 -4.079 11 HB2 MET 3 HB2 MET 3 4.573 16.440 -5.154 12 HB3 MET 3 HB3 MET 3 3.425 15.626 -6.207 13 HG2 MET 3 HG2 MET 3 3.094 17.574 -7.506 14 HG3 MET 3 HG3 MET 3 3.943 18.579 -6.335 15 HE1 MET 3 HE1 MET 3 7.464 16.993 -6.460 16 HE2 MET 3 HE2 MET 3 7.036 18.702 -6.550 17 HE3 MET 3 HE3 MET 3 6.176 17.635 -5.440 18 H GLY 4 H GLY 4 3.470 17.049 -2.413 19 HA2 GLY 4 HA2 GLY 4 4.757 19.398 -2.171 20 HA3 GLY 4 HA3 GLY 4 3.075 19.901 -2.074 21 H SER 5 H SER 5 2.063 17.666 -0.670 22 HA SER 5 HA SER 5 3.084 18.306 1.986 23 HB2 SER 5 HB2 SER 5 0.593 16.864 1.058 24 HB3 SER 5 HB3 SER 5 1.032 17.059 2.755 25 HG SER 5 HG SER 5 0.874 19.283 2.508 26 H GLU 6 H GLU 6 2.343 15.434 0.024 27 HA GLU 6 HA GLU 6 3.733 13.725 1.924 28 HB2 GLU 6 HB2 GLU 6 1.742 12.763 1.078 29 HB3 GLU 6 HB3 GLU 6 2.146 13.192 -0.579 30 HG2 GLU 6 HG2 GLU 6 2.415 10.816 -0.218 31 HG3 GLU 6 HG3 GLU 6 3.970 11.572 -0.561 32 H SER 7 H SER 7 4.116 14.964 -1.350 33 HA SER 7 HA SER 7 6.233 13.430 -2.245 34 HB2 SER 7 HB2 SER 7 4.925 15.258 -3.486 35 HB3 SER 7 HB3 SER 7 6.063 16.396 -2.765 36 HG SER 7 HG SER 7 6.539 14.344 -4.632 37 H GLU 8 H GLU 8 6.371 16.459 -0.383 38 HA GLU 8 HA GLU 8 8.895 15.614 0.780 39 HB2 GLU 8 HB2 GLU 8 8.601 18.041 -0.973 40 HB3 GLU 8 HB3 GLU 8 9.837 17.960 0.275 41 HG2 GLU 8 HG2 GLU 8 10.593 15.801 -0.810 42 HG3 GLU 8 HG3 GLU 8 9.542 16.231 -2.159 43 H GLN 9 H GLN 9 9.616 17.173 2.500 44 HA GLN 9 HA GLN 9 7.551 18.901 3.578 45 HB2 GLN 9 HB2 GLN 9 8.545 16.499 5.121 46 HB3 GLN 9 HB3 GLN 9 7.514 17.769 5.766 47 HG2 GLN 9 HG2 GLN 9 5.798 17.163 4.090 48 HG3 GLN 9 HG3 GLN 9 6.822 15.822 3.580 49 HE21 GLN 9 HE21 GLN 9 4.217 15.509 4.530 50 HE22 GLN 9 HE22 GLN 9 4.277 14.648 6.026 51 H ARG 10 H ARG 10 8.399 20.582 4.662 52 HA ARG 10 HA ARG 10 11.286 20.491 5.240 53 HB2 ARG 10 HB2 ARG 10 9.478 22.724 4.355 54 HB3 ARG 10 HB3 ARG 10 11.012 23.061 5.147 55 HG2 ARG 10 HG2 ARG 10 11.615 23.154 2.941 56 HG3 ARG 10 HG3 ARG 10 11.976 21.468 3.319 57 HD2 ARG 10 HD2 ARG 10 9.766 20.831 2.420 58 HD3 ARG 10 HD3 ARG 10 9.487 22.514 1.976 59 HE ARG 10 HE ARG 10 11.117 20.607 0.587 60 HH11 ARG 10 HH11 ARG 10 10.612 23.992 1.227 61 HH12 ARG 10 HH12 ARG 10 11.377 24.516 -0.237 62 HH21 ARG 10 HH21 ARG 10 12.126 21.285 -1.343 63 HH22 ARG 10 HH22 ARG 10 12.236 22.976 -1.698 64 H HIS 11 H HIS 11 11.938 20.713 7.280 65 HA HIS 11 HA HIS 11 9.955 21.585 9.277 66 HB2 HIS 11 HB2 HIS 11 12.227 19.613 9.453 67 HB3 HIS 11 HB3 HIS 11 11.468 20.291 10.890 68 HD1 HIS 11 HD1 HIS 11 10.569 17.974 11.598 69 HD2 HIS 11 HD2 HIS 11 9.184 19.278 7.904 70 HE1 HIS 11 HE1 HIS 11 8.664 16.440 11.015 71 H ALA 12 H ALA 12 10.756 23.776 8.540 72 HA ALA 12 HA ALA 12 12.371 24.913 10.526 73 HB1 ALA 12 HB1 ALA 12 14.216 25.659 8.814 74 HB2 ALA 12 HB2 ALA 12 14.348 24.125 9.674 75 HB3 ALA 12 HB3 ALA 12 13.771 24.155 8.008 76 H HIS 13 H HIS 13 12.741 27.230 10.186 77 HA HIS 13 HA HIS 13 10.499 28.456 8.939 78 HB2 HIS 13 HB2 HIS 13 12.909 29.431 10.415 79 HB3 HIS 13 HB3 HIS 13 11.958 30.587 9.488 80 HD1 HIS 13 HD1 HIS 13 10.578 31.821 11.125 81 HD2 HIS 13 HD2 HIS 13 10.678 27.750 11.946 82 HE1 HIS 13 HE1 HIS 13 9.023 31.490 13.073 83 H GLN 14 H GLN 14 10.369 28.416 6.774 84 HA GLN 14 HA GLN 14 12.604 29.592 5.269 85 HB2 GLN 14 HB2 GLN 14 11.222 26.995 4.823 86 HB3 GLN 14 HB3 GLN 14 11.660 27.935 3.403 87 HG2 GLN 14 HG2 GLN 14 13.865 27.567 3.667 88 HG3 GLN 14 HG3 GLN 14 13.772 27.598 5.427 89 HE21 GLN 14 HE21 GLN 14 15.323 25.756 4.904 90 HE22 GLN 14 HE22 GLN 14 14.621 24.181 4.798 91 H CYS 15 H CYS 15 11.880 30.275 3.026 92 HA CYS 15 HA CYS 15 9.719 32.076 3.272 93 HB2 CYS 15 HB2 CYS 15 11.767 32.281 1.761 94 HB3 CYS 15 HB3 CYS 15 10.942 31.182 0.664 95 HG CYS 15 HG CYS 15 10.769 34.351 0.638 96 H VAL 16 H VAL 16 7.661 32.053 2.435 97 HA VAL 16 HA VAL 16 6.444 29.487 2.118 98 HB VAL 16 HB VAL 16 4.355 30.728 1.763 99 HG11 VAL 16 HG11 VAL 16 4.230 30.858 3.975 100 HG12 VAL 16 HG12 VAL 16 5.989 30.768 4.065 101 HG13 VAL 16 HG13 VAL 16 5.189 32.337 3.966 102 HG21 VAL 16 HG21 VAL 16 6.174 33.129 1.739 103 HG22 VAL 16 HG22 VAL 16 5.088 32.586 0.461 104 HG23 VAL 16 HG23 VAL 16 4.428 33.227 1.965 105 H SER 17 H SER 17 7.624 31.941 -0.040 106 HA SER 17 HA SER 17 6.216 30.975 -2.351 107 HB2 SER 17 HB2 SER 17 6.723 33.137 -2.812 108 HB3 SER 17 HB3 SER 17 8.127 33.138 -1.745 109 HG SER 17 HG SER 17 9.323 32.838 -3.432 110 H CYS 18 H CYS 18 9.693 31.089 -1.549 111 HA CYS 18 HA CYS 18 10.064 28.710 -3.242 112 HB2 CYS 18 HB2 CYS 18 11.931 30.960 -2.504 113 HB3 CYS 18 HB3 CYS 18 12.512 29.454 -3.202 114 HG CYS 18 HG CYS 18 11.292 32.089 -4.714 115 H GLY 19 H GLY 19 12.025 30.108 -0.625 116 HA2 GLY 19 HA2 GLY 19 11.576 28.573 1.509 117 HA3 GLY 19 HA3 GLY 19 12.420 27.438 0.465 118 H ILE 20 H ILE 20 13.023 30.906 0.761 119 HA ILE 20 HA ILE 20 15.791 30.683 0.865 120 HB ILE 20 HB ILE 20 14.071 32.884 2.015 121 HG12 ILE 20 HG12 ILE 20 15.268 33.745 -0.347 122 HG13 ILE 20 HG13 ILE 20 14.769 32.094 -0.698 123 HG21 ILE 20 HG21 ILE 20 17.019 32.705 1.472 124 HG22 ILE 20 HG22 ILE 20 16.175 34.250 1.572 125 HG23 ILE 20 HG23 ILE 20 16.199 33.168 2.964 126 HD11 ILE 20 HD11 ILE 20 13.197 34.315 -0.900 127 HD12 ILE 20 HD12 ILE 20 12.618 32.653 -0.784 128 HD13 ILE 20 HD13 ILE 20 12.723 33.653 0.664 129 H ASN 21 H ASN 21 17.301 30.662 2.503 130 HA ASN 21 HA ASN 21 16.480 29.415 4.950 131 HB2 ASN 21 HB2 ASN 21 18.949 29.590 5.501 132 HB3 ASN 21 HB3 ASN 21 18.559 28.690 4.039 133 HD21 ASN 21 HD21 ASN 21 20.787 29.103 3.480 134 HD22 ASN 21 HD22 ASN 21 21.213 30.606 2.743 135 H ILE 22 H ILE 22 15.050 31.371 5.417 136 HA ILE 22 HA ILE 22 16.564 33.503 6.758 137 HB ILE 22 HB ILE 22 14.379 34.715 6.821 138 HG12 ILE 22 HG12 ILE 22 13.456 32.563 4.908 139 HG13 ILE 22 HG13 ILE 22 12.991 32.624 6.605 140 HG21 ILE 22 HG21 ILE 22 15.055 35.713 4.954 141 HG22 ILE 22 HG22 ILE 22 16.178 34.373 4.716 142 HG23 ILE 22 HG23 ILE 22 14.579 34.326 3.974 143 HD11 ILE 22 HD11 ILE 22 11.447 34.180 6.229 144 HD12 ILE 22 HD12 ILE 22 12.518 35.125 5.195 145 HD13 ILE 22 HD13 ILE 22 11.627 33.758 4.527 146 H ALA 23 H ALA 23 16.323 30.913 7.947 147 HA ALA 23 HA ALA 23 14.258 30.795 9.868 148 HB1 ALA 23 HB1 ALA 23 15.498 29.025 10.881 149 HB2 ALA 23 HB2 ALA 23 15.684 28.877 9.134 150 HB3 ALA 23 HB3 ALA 23 16.992 29.552 10.106 151 H GLY 24 H GLY 24 13.926 32.186 11.469 152 HA2 GLY 24 HA2 GLY 24 14.322 33.501 13.314 153 HA3 GLY 24 HA3 GLY 24 15.922 32.781 13.399 154 H MET 25 H MET 25 15.102 34.253 10.418 155 HA MET 25 HA MET 25 17.088 36.319 10.885 156 HB2 MET 25 HB2 MET 25 15.647 35.283 8.467 157 HB3 MET 25 HB3 MET 25 16.482 36.829 8.402 158 HG2 MET 25 HG2 MET 25 17.794 34.253 9.226 159 HG3 MET 25 HG3 MET 25 17.799 34.881 7.579 160 HE1 MET 25 HE1 MET 25 20.216 37.667 7.479 161 HE2 MET 25 HE2 MET 25 20.259 36.005 6.892 162 HE3 MET 25 HE3 MET 25 18.761 36.932 6.808 163 H SER 26 H SER 26 16.429 38.468 9.564 164 HA SER 26 HA SER 26 14.146 39.516 11.039 165 HB2 SER 26 HB2 SER 26 15.004 41.730 10.063 166 HB3 SER 26 HB3 SER 26 16.046 40.911 11.226 167 HG SER 26 HG SER 26 16.385 40.291 8.530 168 H ALA 27 H ALA 27 13.289 37.793 9.122 169 HA ALA 27 HA ALA 27 12.496 39.377 6.798 170 HB1 ALA 27 HB1 ALA 27 11.341 36.804 6.686 171 HB2 ALA 27 HB2 ALA 27 12.689 37.437 5.741 172 HB3 ALA 27 HB3 ALA 27 12.995 36.607 7.267 173 H ALA 28 H ALA 28 10.200 39.197 6.072 174 HA ALA 28 HA ALA 28 8.451 40.265 7.947 175 HB1 ALA 28 HB1 ALA 28 6.781 40.149 6.299 176 HB2 ALA 28 HB2 ALA 28 8.292 40.326 5.407 177 HB3 ALA 28 HB3 ALA 28 7.520 38.745 5.528 178 H THR 29 H THR 29 8.009 39.204 9.795 179 HA THR 29 HA THR 29 7.094 36.412 9.611 180 HB THR 29 HB THR 29 7.609 37.494 12.298 181 HG1 THR 29 HG1 THR 29 9.908 37.350 11.988 182 HG21 THR 29 HG21 THR 29 7.203 35.050 11.388 183 HG22 THR 29 HG22 THR 29 8.947 35.100 11.131 184 HG23 THR 29 HG23 THR 29 8.287 35.346 12.748 185 H PHE 30 H PHE 30 5.093 35.847 10.280 186 HA PHE 30 HA PHE 30 3.488 37.655 11.876 187 HB2 PHE 30 HB2 PHE 30 1.630 37.705 10.233 188 HB3 PHE 30 HB3 PHE 30 3.070 38.536 9.652 189 HD1 PHE 30 HD1 PHE 30 4.584 37.328 8.033 190 HD2 PHE 30 HD2 PHE 30 0.680 35.949 9.021 191 HE1 PHE 30 HE1 PHE 30 4.559 35.949 5.995 192 HE2 PHE 30 HE2 PHE 30 0.650 34.567 6.986 193 HZ PHE 30 HZ PHE 30 2.591 34.565 5.470 194 H LYS 31 H LYS 31 1.148 36.646 12.018 195 HA LYS 31 HA LYS 31 1.500 33.747 12.412 196 HB2 LYS 31 HB2 LYS 31 1.284 34.826 14.545 197 HB3 LYS 31 HB3 LYS 31 -0.106 35.754 13.996 198 HG2 LYS 31 HG2 LYS 31 -1.383 33.655 13.782 199 HG3 LYS 31 HG3 LYS 31 0.004 32.776 14.430 200 HD2 LYS 31 HD2 LYS 31 -1.403 35.016 15.877 201 HD3 LYS 31 HD3 LYS 31 -1.767 33.305 16.114 202 HE2 LYS 31 HE2 LYS 31 0.511 32.902 16.853 203 HE3 LYS 31 HE3 LYS 31 0.931 34.586 16.544 204 HZ1 LYS 31 HZ1 LYS 31 -1.296 34.016 18.361 205 HZ2 LYS 31 HZ2 LYS 31 0.279 33.774 18.928 206 HZ3 LYS 31 HZ3 LYS 31 -0.196 35.301 18.376 207 H CYS 32 H CYS 32 0.237 32.461 11.248 208 HA CYS 32 HA CYS 32 -1.662 33.464 9.415 209 HB2 CYS 32 HB2 CYS 32 -0.325 31.318 9.212 210 HB3 CYS 32 HB3 CYS 32 -1.457 30.603 10.354 211 HG CYS 32 HG CYS 32 -3.486 31.766 8.283 212 HA PRO 33 HA PRO 33 -5.111 33.854 12.188 213 HB2 PRO 33 HB2 PRO 33 -6.943 34.500 10.292 214 HB3 PRO 33 HB3 PRO 33 -5.741 35.646 10.897 215 HG2 PRO 33 HG2 PRO 33 -5.710 34.015 8.386 216 HG3 PRO 33 HG3 PRO 33 -5.259 35.714 8.623 217 HD2 PRO 33 HD2 PRO 33 -3.424 33.730 8.455 218 HD3 PRO 33 HD3 PRO 33 -3.177 35.178 9.453 219 H ASP 34 H ASP 34 -4.599 31.498 9.838 220 HA ASP 34 HA ASP 34 -7.190 30.212 10.165 221 HB2 ASP 34 HB2 ASP 34 -5.735 30.324 7.989 222 HB3 ASP 34 HB3 ASP 34 -4.883 28.963 8.715 223 H CYS 35 H CYS 35 -3.768 29.382 10.715 224 HA CYS 35 HA CYS 35 -4.667 27.416 12.717 225 HB2 CYS 35 HB2 CYS 35 -2.365 26.389 12.333 226 HB3 CYS 35 HB3 CYS 35 -3.525 26.227 11.020 227 HG CYS 35 HG CYS 35 -1.450 26.767 9.503 228 H GLY 36 H GLY 36 -2.182 29.840 11.984 229 HA2 GLY 36 HA2 GLY 36 -1.540 31.464 13.634 230 HA3 GLY 36 HA3 GLY 36 -1.895 30.277 14.881 231 H GLN 37 H GLN 37 -0.178 29.202 12.096 232 HA GLN 37 HA GLN 37 2.130 28.600 13.728 233 HB2 GLN 37 HB2 GLN 37 1.646 28.073 10.790 234 HB3 GLN 37 HB3 GLN 37 2.949 27.399 11.759 235 HG2 GLN 37 HG2 GLN 37 0.225 26.923 12.767 236 HG3 GLN 37 HG3 GLN 37 0.640 26.127 11.249 237 HE21 GLN 37 HE21 GLN 37 0.448 24.129 12.370 238 HE22 GLN 37 HE22 GLN 37 1.733 23.556 13.372 239 H GLU 38 H GLU 38 3.864 29.844 13.918 240 HA GLU 38 HA GLU 38 4.159 32.356 12.824 241 HB2 GLU 38 HB2 GLU 38 5.459 31.162 14.742 242 HB3 GLU 38 HB3 GLU 38 6.574 30.697 13.465 243 HG2 GLU 38 HG2 GLU 38 7.098 32.955 12.978 244 HG3 GLU 38 HG3 GLU 38 5.783 33.546 13.991 245 H ILE 39 H ILE 39 4.297 32.913 10.759 246 HA ILE 39 HA ILE 39 5.665 31.127 8.877 247 HB ILE 39 HB ILE 39 4.031 33.543 8.136 248 HG12 ILE 39 HG12 ILE 39 3.082 30.705 8.576 249 HG13 ILE 39 HG13 ILE 39 2.601 32.124 9.500 250 HG21 ILE 39 HG21 ILE 39 5.588 32.417 6.489 251 HG22 ILE 39 HG22 ILE 39 4.514 31.020 6.574 252 HG23 ILE 39 HG23 ILE 39 3.903 32.568 5.990 253 HD11 ILE 39 HD11 ILE 39 1.449 31.054 7.137 254 HD12 ILE 39 HD12 ILE 39 0.917 32.427 8.108 255 HD13 ILE 39 HD13 ILE 39 2.060 32.671 6.787 256 H SER 40 H SER 40 7.426 31.742 7.719 257 HA SER 40 HA SER 40 8.508 34.429 8.268 258 HB2 SER 40 HB2 SER 40 9.865 31.750 8.200 259 HB3 SER 40 HB3 SER 40 10.778 33.217 7.848 260 HG SER 40 HG SER 40 10.732 33.722 9.889 261 H ARG 41 H ARG 41 8.393 35.627 6.494 262 HA ARG 41 HA ARG 41 8.910 34.342 3.893 263 HB2 ARG 41 HB2 ARG 41 7.204 36.758 4.520 264 HB3 ARG 41 HB3 ARG 41 7.548 36.165 2.901 265 HG2 ARG 41 HG2 ARG 41 6.464 34.018 3.515 266 HG3 ARG 41 HG3 ARG 41 6.015 34.739 5.062 267 HD2 ARG 41 HD2 ARG 41 5.102 35.505 2.304 268 HD3 ARG 41 HD3 ARG 41 4.125 34.978 3.674 269 HE ARG 41 HE ARG 41 5.293 37.266 4.555 270 HH11 ARG 41 HH11 ARG 41 3.396 36.433 1.757 271 HH12 ARG 41 HH12 ARG 41 2.699 38.011 1.598 272 HH21 ARG 41 HH21 ARG 41 4.381 39.347 4.357 273 HH22 ARG 41 HH22 ARG 41 3.260 39.668 3.077 274 H CYS 42 H CYS 42 10.589 35.049 2.735 275 HA CYS 42 HA CYS 42 12.407 36.935 3.827 276 HB2 CYS 42 HB2 CYS 42 12.815 34.908 2.217 277 HB3 CYS 42 HB3 CYS 42 12.502 36.091 0.952 278 HG CYS 42 HG CYS 42 14.853 37.116 0.923 279 H SER 43 H SER 43 13.234 38.838 2.627 280 HA SER 43 HA SER 43 11.310 40.779 2.277 281 HB2 SER 43 HB2 SER 43 13.857 40.964 0.711 282 HB3 SER 43 HB3 SER 43 13.026 42.208 1.645 283 HG SER 43 HG SER 43 14.987 41.347 2.615 284 H LYS 44 H LYS 44 12.877 38.782 -0.195 285 HA LYS 44 HA LYS 44 11.829 39.936 -2.478 286 HB2 LYS 44 HB2 LYS 44 12.276 36.985 -1.994 287 HB3 LYS 44 HB3 LYS 44 12.165 37.770 -3.564 288 HG2 LYS 44 HG2 LYS 44 14.264 38.495 -1.542 289 HG3 LYS 44 HG3 LYS 44 14.485 37.213 -2.736 290 HD2 LYS 44 HD2 LYS 44 14.386 38.717 -4.532 291 HD3 LYS 44 HD3 LYS 44 13.667 39.989 -3.541 292 HE2 LYS 44 HE2 LYS 44 16.390 38.941 -2.888 293 HE3 LYS 44 HE3 LYS 44 16.188 40.109 -4.194 294 HZ1 LYS 44 HZ1 LYS 44 16.694 41.135 -2.026 295 HZ2 LYS 44 HZ2 LYS 44 15.220 41.660 -2.671 296 HZ3 LYS 44 HZ3 LYS 44 15.238 40.529 -1.413 297 H CYS 45 H CYS 45 10.322 37.717 -0.212 298 HA CYS 45 HA CYS 45 8.097 36.941 -1.684 299 HB2 CYS 45 HB2 CYS 45 8.983 36.512 0.872 300 HB3 CYS 45 HB3 CYS 45 7.552 37.497 1.152 301 HG CYS 45 HG CYS 45 7.065 34.990 -1.011 302 H ARG 46 H ARG 46 8.857 39.990 -0.244 303 HA ARG 46 HA ARG 46 6.406 41.153 0.181 304 HB2 ARG 46 HB2 ARG 46 8.964 42.316 -0.909 305 HB3 ARG 46 HB3 ARG 46 7.553 43.311 -0.574 306 HG2 ARG 46 HG2 ARG 46 8.753 41.531 1.518 307 HG3 ARG 46 HG3 ARG 46 9.360 43.161 1.217 308 HD2 ARG 46 HD2 ARG 46 6.512 42.455 1.918 309 HD3 ARG 46 HD3 ARG 46 7.711 43.092 3.044 310 HE ARG 46 HE ARG 46 6.231 44.566 1.066 311 HH11 ARG 46 HH11 ARG 46 9.107 44.483 3.027 312 HH12 ARG 46 HH12 ARG 46 9.338 46.199 2.991 313 HH21 ARG 46 HH21 ARG 46 6.525 46.827 1.011 314 HH22 ARG 46 HH22 ARG 46 7.869 47.532 1.845 315 H LYS 47 H LYS 47 8.031 40.549 -2.873 316 HA LYS 47 HA LYS 47 6.147 42.040 -4.443 317 HB2 LYS 47 HB2 LYS 47 8.535 41.596 -5.102 318 HB3 LYS 47 HB3 LYS 47 8.081 39.920 -5.387 319 HG2 LYS 47 HG2 LYS 47 6.502 42.032 -6.745 320 HG3 LYS 47 HG3 LYS 47 8.136 41.708 -7.329 321 HD2 LYS 47 HD2 LYS 47 7.314 39.205 -7.205 322 HD3 LYS 47 HD3 LYS 47 5.724 39.959 -7.345 323 HE2 LYS 47 HE2 LYS 47 7.946 40.676 -9.225 324 HE3 LYS 47 HE3 LYS 47 6.958 39.241 -9.496 325 HZ1 LYS 47 HZ1 LYS 47 5.234 41.363 -8.953 326 HZ2 LYS 47 HZ2 LYS 47 6.353 41.918 -10.094 327 HZ3 LYS 47 HZ3 LYS 47 5.434 40.534 -10.414 328 H GLN 48 H GLN 48 6.554 38.688 -3.477 329 HA GLN 48 HA GLN 48 4.439 37.742 -5.194 330 HB2 GLN 48 HB2 GLN 48 6.208 36.491 -3.124 331 HB3 GLN 48 HB3 GLN 48 4.777 35.637 -3.685 332 HG2 GLN 48 HG2 GLN 48 6.679 36.728 -5.695 333 HG3 GLN 48 HG3 GLN 48 7.110 35.265 -4.812 334 HE21 GLN 48 HE21 GLN 48 5.423 33.542 -4.810 335 HE22 GLN 48 HE22 GLN 48 4.545 33.288 -6.276 336 H SER 49 H SER 49 4.403 39.553 -2.486 337 HA SER 49 HA SER 49 2.606 38.375 -0.733 338 HB2 SER 49 HB2 SER 49 3.885 40.718 -0.725 339 HB3 SER 49 HB3 SER 49 2.309 41.292 -1.268 340 HG SER 49 HG SER 49 1.425 40.708 0.611 341 H ASN 50 H ASN 50 2.053 39.866 -3.835 342 HA ASN 50 HA ASN 50 -0.646 40.433 -3.746 343 HB2 ASN 50 HB2 ASN 50 0.678 39.152 -6.135 344 HB3 ASN 50 HB3 ASN 50 -0.646 40.312 -6.122 345 HD21 ASN 50 HD21 ASN 50 2.172 40.228 -7.269 346 HD22 ASN 50 HD22 ASN 50 2.844 41.753 -6.812 347 H LEU 51 H LEU 51 0.945 37.339 -3.899 348 HA LEU 51 HA LEU 51 -1.569 36.005 -3.370 349 HB2 LEU 51 HB2 LEU 51 -1.057 36.189 -5.940 350 HB3 LEU 51 HB3 LEU 51 0.047 34.859 -5.598 351 HG LEU 51 HG LEU 51 -2.082 34.044 -6.454 352 HD11 LEU 51 HD11 LEU 51 -0.858 32.644 -4.891 353 HD12 LEU 51 HD12 LEU 51 -1.664 33.428 -3.532 354 HD13 LEU 51 HD13 LEU 51 -2.597 32.450 -4.666 355 HD21 LEU 51 HD21 LEU 51 -4.073 34.803 -5.800 356 HD22 LEU 51 HD22 LEU 51 -3.665 34.639 -4.092 357 HD23 LEU 51 HD23 LEU 51 -3.194 36.091 -4.975 358 H TYR 52 H TYR 52 -0.988 35.022 -1.538 359 HA TYR 52 HA TYR 52 1.449 33.368 -1.583 360 HB2 TYR 52 HB2 TYR 52 1.958 33.938 0.650 361 HB3 TYR 52 HB3 TYR 52 1.540 35.465 -0.120 362 HD1 TYR 52 HD1 TYR 52 -1.036 36.102 0.079 363 HD2 TYR 52 HD2 TYR 52 1.035 33.479 2.713 364 HE1 TYR 52 HE1 TYR 52 -2.730 36.517 1.814 365 HE2 TYR 52 HE2 TYR 52 -0.654 33.886 4.455 366 HH TYR 52 HH TYR 52 -3.063 34.617 4.548 367 H GLU 53 H GLU 53 1.337 31.738 0.352 368 HA GLU 53 HA GLU 53 -1.304 30.782 0.991 369 HB2 GLU 53 HB2 GLU 53 -1.104 29.846 -1.231 370 HB3 GLU 53 HB3 GLU 53 0.486 29.198 -0.856 371 HG2 GLU 53 HG2 GLU 53 -1.294 28.188 1.082 372 HG3 GLU 53 HG3 GLU 53 -2.073 28.006 -0.488 373 H CYS 54 H CYS 54 -1.226 29.990 2.982 374 HA CYS 54 HA CYS 54 1.182 29.702 4.411 375 HB2 CYS 54 HB2 CYS 54 -1.010 30.237 5.448 376 HB3 CYS 54 HB3 CYS 54 -1.542 28.593 5.117 377 HG CYS 54 HG CYS 54 1.295 28.943 6.917 378 HA PRO 55 HA PRO 55 2.206 25.638 2.828 379 HB2 PRO 55 HB2 PRO 55 4.617 25.497 4.067 380 HB3 PRO 55 HB3 PRO 55 4.351 26.424 2.585 381 HG2 PRO 55 HG2 PRO 55 4.462 27.376 5.421 382 HG3 PRO 55 HG3 PRO 55 5.178 28.100 3.969 383 HD2 PRO 55 HD2 PRO 55 2.873 29.007 5.065 384 HD3 PRO 55 HD3 PRO 55 3.189 29.068 3.319 385 H ASP 56 H ASP 56 1.651 26.680 6.024 386 HA ASP 56 HA ASP 56 2.214 24.155 7.299 387 HB2 ASP 56 HB2 ASP 56 1.881 26.783 8.177 388 HB3 ASP 56 HB3 ASP 56 0.480 25.926 8.812 389 H CYS 57 H CYS 57 -0.769 26.049 6.791 390 HA CYS 57 HA CYS 57 -2.290 23.539 6.977 391 HB2 CYS 57 HB2 CYS 57 -4.246 24.959 7.468 392 HB3 CYS 57 HB3 CYS 57 -2.944 25.216 8.623 393 HG CYS 57 HG CYS 57 -4.578 27.474 7.131 394 H GLY 58 H GLY 58 -0.847 24.729 4.605 395 HA2 GLY 58 HA2 GLY 58 -1.227 25.167 2.371 396 HA3 GLY 58 HA3 GLY 58 -2.417 23.886 2.550 397 H PHE 59 H PHE 59 -2.447 27.129 3.972 398 HA PHE 59 HA PHE 59 -5.111 27.539 2.870 399 HB2 PHE 59 HB2 PHE 59 -4.914 28.081 5.187 400 HB3 PHE 59 HB3 PHE 59 -3.472 29.050 4.905 401 HD1 PHE 59 HD1 PHE 59 -6.737 29.031 3.123 402 HD2 PHE 59 HD2 PHE 59 -4.010 31.197 5.570 403 HE1 PHE 59 HE1 PHE 59 -8.138 31.041 2.900 404 HE2 PHE 59 HE2 PHE 59 -5.407 33.210 5.351 405 HZ PHE 59 HZ PHE 59 -7.475 33.134 4.015 406 H MET 60 H MET 60 -5.046 28.175 0.792 407 HA MET 60 HA MET 60 -3.017 29.959 -0.199 408 HB2 MET 60 HB2 MET 60 -4.469 28.047 -1.396 409 HB3 MET 60 HB3 MET 60 -5.467 29.439 -1.794 410 HG2 MET 60 HG2 MET 60 -2.791 30.159 -2.317 411 HG3 MET 60 HG3 MET 60 -3.048 28.557 -3.005 412 HE1 MET 60 HE1 MET 60 -2.486 29.322 -5.187 413 HE2 MET 60 HE2 MET 60 -3.962 28.479 -5.656 414 HE3 MET 60 HE3 MET 60 -3.610 30.076 -6.317 415 H GLY 61 H GLY 61 -3.185 32.106 -0.657 416 HA2 GLY 61 HA2 GLY 61 -5.756 33.448 -0.497 417 HA3 GLY 61 HA3 GLY 61 -4.621 33.853 0.782 418 HA PRO 62 HA PRO 62 -3.978 36.616 -2.960 419 HB2 PRO 62 HB2 PRO 62 -4.447 38.961 -1.674 420 HB3 PRO 62 HB3 PRO 62 -5.726 38.018 -2.449 421 HG2 PRO 62 HG2 PRO 62 -4.951 38.144 0.440 422 HG3 PRO 62 HG3 PRO 62 -6.569 38.144 -0.285 423 HD2 PRO 62 HD2 PRO 62 -5.459 35.925 0.799 424 HD3 PRO 62 HD3 PRO 62 -6.574 35.858 -0.581 Start of MODEL 4 1 H1 GLY 1 H GLY 1 13.559 5.804 -6.760 2 HA2 GLY 1 HA2 GLY 1 11.019 6.443 -5.790 3 HA3 GLY 1 HA3 GLY 1 12.462 6.278 -4.801 4 H ALA 2 H ALA 2 14.000 8.257 -5.052 5 HA ALA 2 HA ALA 2 14.362 10.456 -4.591 6 HB1 ALA 2 HB1 ALA 2 11.874 11.175 -6.091 7 HB2 ALA 2 HB2 ALA 2 13.414 12.030 -6.005 8 HB3 ALA 2 HB3 ALA 2 13.283 10.541 -6.940 9 H MET 3 H MET 3 13.157 9.120 -2.560 10 HA MET 3 HA MET 3 10.822 10.559 -1.651 11 HB2 MET 3 HB2 MET 3 12.531 8.403 -0.418 12 HB3 MET 3 HB3 MET 3 11.203 9.166 0.446 13 HG2 MET 3 HG2 MET 3 9.785 8.482 -1.596 14 HG3 MET 3 HG3 MET 3 11.117 7.384 -1.950 15 HE1 MET 3 HE1 MET 3 9.660 5.563 -2.037 16 HE2 MET 3 HE2 MET 3 9.178 4.583 -0.653 17 HE3 MET 3 HE3 MET 3 8.115 5.861 -1.241 18 H GLY 4 H GLY 4 10.733 12.135 -0.117 19 HA2 GLY 4 HA2 GLY 4 12.860 12.763 1.654 20 HA3 GLY 4 HA3 GLY 4 12.887 13.843 0.268 21 H SER 5 H SER 5 11.807 15.675 0.505 22 HA SER 5 HA SER 5 10.254 16.234 2.793 23 HB2 SER 5 HB2 SER 5 9.745 18.378 1.666 24 HB3 SER 5 HB3 SER 5 11.464 17.992 1.603 25 HG SER 5 HG SER 5 9.890 18.537 -0.417 26 H GLU 6 H GLU 6 9.396 15.424 -0.535 27 HA GLU 6 HA GLU 6 6.644 15.908 -0.378 28 HB2 GLU 6 HB2 GLU 6 6.498 14.211 -2.250 29 HB3 GLU 6 HB3 GLU 6 7.585 15.564 -2.527 30 HG2 GLU 6 HG2 GLU 6 9.062 13.472 -1.300 31 HG3 GLU 6 HG3 GLU 6 8.145 12.797 -2.647 32 H SER 7 H SER 7 8.567 13.116 0.554 33 HA SER 7 HA SER 7 6.361 11.384 1.038 34 HB2 SER 7 HB2 SER 7 8.326 10.195 0.742 35 HB3 SER 7 HB3 SER 7 9.283 11.339 1.683 36 HG SER 7 HG SER 7 8.999 10.047 3.301 37 H GLU 8 H GLU 8 8.416 13.362 3.158 38 HA GLU 8 HA GLU 8 6.234 13.715 5.008 39 HB2 GLU 8 HB2 GLU 8 7.303 12.763 6.942 40 HB3 GLU 8 HB3 GLU 8 7.211 11.529 5.693 41 HG2 GLU 8 HG2 GLU 8 9.596 12.198 5.096 42 HG3 GLU 8 HG3 GLU 8 9.610 13.058 6.635 43 H GLN 9 H GLN 9 6.683 15.316 6.635 44 HA GLN 9 HA GLN 9 9.187 16.764 6.480 45 HB2 GLN 9 HB2 GLN 9 7.926 18.940 6.064 46 HB3 GLN 9 HB3 GLN 9 8.143 17.875 4.682 47 HG2 GLN 9 HG2 GLN 9 5.909 17.226 4.674 48 HG3 GLN 9 HG3 GLN 9 5.647 17.776 6.328 49 HE21 GLN 9 HE21 GLN 9 4.207 19.347 6.247 50 HE22 GLN 9 HE22 GLN 9 4.246 20.704 5.178 51 H ARG 10 H ARG 10 9.237 18.594 8.052 52 HA ARG 10 HA ARG 10 7.427 18.093 10.322 53 HB2 ARG 10 HB2 ARG 10 10.341 17.995 10.181 54 HB3 ARG 10 HB3 ARG 10 9.760 19.073 11.444 55 HG2 ARG 10 HG2 ARG 10 10.105 16.893 12.371 56 HG3 ARG 10 HG3 ARG 10 8.373 17.225 12.325 57 HD2 ARG 10 HD2 ARG 10 7.968 15.583 10.838 58 HD3 ARG 10 HD3 ARG 10 9.449 15.900 9.935 59 HE ARG 10 HE ARG 10 9.076 13.955 11.993 60 HH11 ARG 10 HH11 ARG 10 11.412 16.054 10.492 61 HH12 ARG 10 HH12 ARG 10 12.771 15.072 10.932 62 HH21 ARG 10 HH21 ARG 10 10.856 12.654 12.578 63 HH22 ARG 10 HH22 ARG 10 12.453 13.138 12.118 64 H HIS 11 H HIS 11 10.007 20.463 9.723 65 HA HIS 11 HA HIS 11 8.007 22.595 10.103 66 HB2 HIS 11 HB2 HIS 11 10.913 22.513 10.929 67 HB3 HIS 11 HB3 HIS 11 9.925 23.970 10.975 68 HD1 HIS 11 HD1 HIS 11 11.180 22.792 13.539 69 HD2 HIS 11 HD2 HIS 11 7.321 21.986 12.228 70 HE1 HIS 11 HE1 HIS 11 9.907 22.087 15.590 71 H ALA 12 H ALA 12 8.236 21.714 7.590 72 HA ALA 12 HA ALA 12 10.274 22.883 6.028 73 HB1 ALA 12 HB1 ALA 12 8.315 22.660 4.233 74 HB2 ALA 12 HB2 ALA 12 9.230 21.272 4.819 75 HB3 ALA 12 HB3 ALA 12 7.643 21.631 5.499 76 H HIS 13 H HIS 13 10.604 25.033 6.417 77 HA HIS 13 HA HIS 13 8.326 26.856 6.084 78 HB2 HIS 13 HB2 HIS 13 10.872 26.973 7.594 79 HB3 HIS 13 HB3 HIS 13 10.325 28.486 6.876 80 HD1 HIS 13 HD1 HIS 13 10.169 29.068 9.555 81 HD2 HIS 13 HD2 HIS 13 7.308 26.497 7.985 82 HE1 HIS 13 HE1 HIS 13 8.280 29.070 11.215 83 H GLN 14 H GLN 14 8.057 27.517 4.057 84 HA GLN 14 HA GLN 14 10.434 28.376 2.551 85 HB2 GLN 14 HB2 GLN 14 8.262 26.517 1.742 86 HB3 GLN 14 HB3 GLN 14 8.834 27.653 0.528 87 HG2 GLN 14 HG2 GLN 14 10.824 26.626 0.302 88 HG3 GLN 14 HG3 GLN 14 10.919 26.193 2.009 89 HE21 GLN 14 HE21 GLN 14 11.752 24.222 0.755 90 HE22 GLN 14 HE22 GLN 14 10.581 22.996 0.428 91 H CYS 15 H CYS 15 9.827 29.845 0.694 92 HA CYS 15 HA CYS 15 8.351 32.042 1.705 93 HB2 CYS 15 HB2 CYS 15 10.308 32.102 0.068 94 HB3 CYS 15 HB3 CYS 15 9.149 31.653 -1.177 95 HG CYS 15 HG CYS 15 8.084 34.257 0.577 96 H VAL 16 H VAL 16 6.352 32.842 1.166 97 HA VAL 16 HA VAL 16 4.402 30.938 0.304 98 HB VAL 16 HB VAL 16 2.763 32.681 0.651 99 HG11 VAL 16 HG11 VAL 16 3.023 32.972 2.956 100 HG12 VAL 16 HG12 VAL 16 3.962 31.522 2.599 101 HG13 VAL 16 HG13 VAL 16 4.781 33.066 2.838 102 HG21 VAL 16 HG21 VAL 16 4.021 34.912 1.580 103 HG22 VAL 16 HG22 VAL 16 5.087 34.424 0.262 104 HG23 VAL 16 HG23 VAL 16 3.377 34.724 -0.051 105 H SER 17 H SER 17 6.189 33.502 -1.214 106 HA SER 17 HA SER 17 4.467 33.718 -3.505 107 HB2 SER 17 HB2 SER 17 5.588 35.684 -3.424 108 HB3 SER 17 HB3 SER 17 6.954 34.980 -2.558 109 HG SER 17 HG SER 17 7.894 35.223 -4.434 110 H CYS 18 H CYS 18 7.842 32.608 -3.152 111 HA CYS 18 HA CYS 18 7.416 30.867 -5.485 112 HB2 CYS 18 HB2 CYS 18 9.770 32.369 -4.453 113 HB3 CYS 18 HB3 CYS 18 10.075 30.831 -5.250 114 HG CYS 18 HG CYS 18 8.391 31.813 -7.504 115 H GLY 19 H GLY 19 9.770 30.752 -2.822 116 HA2 GLY 19 HA2 GLY 19 8.930 28.832 -1.182 117 HA3 GLY 19 HA3 GLY 19 9.330 27.881 -2.604 118 H ILE 20 H ILE 20 11.022 30.742 -1.406 119 HA ILE 20 HA ILE 20 13.574 29.690 -1.730 120 HB ILE 20 HB ILE 20 12.686 31.829 0.209 121 HG12 ILE 20 HG12 ILE 20 14.005 33.026 -1.905 122 HG13 ILE 20 HG13 ILE 20 13.075 31.753 -2.689 123 HG21 ILE 20 HG21 ILE 20 15.036 32.580 0.109 124 HG22 ILE 20 HG22 ILE 20 14.860 30.982 0.834 125 HG23 ILE 20 HG23 ILE 20 15.432 31.138 -0.827 126 HD11 ILE 20 HD11 ILE 20 11.102 32.751 -2.265 127 HD12 ILE 20 HD12 ILE 20 11.634 33.398 -0.713 128 HD13 ILE 20 HD13 ILE 20 12.114 34.194 -2.212 129 H ASN 21 H ASN 21 15.045 28.705 -0.379 130 HA ASN 21 HA ASN 21 13.938 27.081 1.713 131 HB2 ASN 21 HB2 ASN 21 16.815 27.404 0.830 132 HB3 ASN 21 HB3 ASN 21 16.195 26.133 1.881 133 HD21 ASN 21 HD21 ASN 21 16.768 27.113 -1.300 134 HD22 ASN 21 HD22 ASN 21 15.999 25.792 -2.105 135 H ILE 22 H ILE 22 13.347 29.332 2.752 136 HA ILE 22 HA ILE 22 15.535 30.279 4.455 137 HB ILE 22 HB ILE 22 13.984 32.100 5.094 138 HG12 ILE 22 HG12 ILE 22 12.169 30.915 2.983 139 HG13 ILE 22 HG13 ILE 22 11.884 30.824 4.717 140 HG21 ILE 22 HG21 ILE 22 13.808 32.405 2.223 141 HG22 ILE 22 HG22 ILE 22 14.795 33.282 3.391 142 HG23 ILE 22 HG23 ILE 22 15.373 31.758 2.716 143 HD11 ILE 22 HD11 ILE 22 10.917 32.810 4.707 144 HD12 ILE 22 HD12 ILE 22 12.322 33.545 3.934 145 HD13 ILE 22 HD13 ILE 22 11.053 32.817 2.949 146 H ALA 23 H ALA 23 14.418 27.691 4.937 147 HA ALA 23 HA ALA 23 12.596 27.881 7.155 148 HB1 ALA 23 HB1 ALA 23 14.186 25.429 6.509 149 HB2 ALA 23 HB2 ALA 23 12.551 25.562 7.157 150 HB3 ALA 23 HB3 ALA 23 12.863 25.944 5.463 151 H GLY 24 H GLY 24 13.214 28.543 9.103 152 HA2 GLY 24 HA2 GLY 24 14.377 28.261 11.134 153 HA3 GLY 24 HA3 GLY 24 15.667 27.451 10.257 154 H MET 25 H MET 25 15.614 29.693 8.233 155 HA MET 25 HA MET 25 17.592 31.314 9.537 156 HB2 MET 25 HB2 MET 25 16.374 31.753 6.810 157 HB3 MET 25 HB3 MET 25 17.924 32.342 7.396 158 HG2 MET 25 HG2 MET 25 17.186 29.472 6.873 159 HG3 MET 25 HG3 MET 25 18.233 30.485 5.882 160 HE1 MET 25 HE1 MET 25 21.480 30.780 7.843 161 HE2 MET 25 HE2 MET 25 20.608 31.054 6.335 162 HE3 MET 25 HE3 MET 25 20.195 31.986 7.774 163 H SER 26 H SER 26 17.298 33.823 8.619 164 HA SER 26 HA SER 26 15.020 34.775 10.176 165 HB2 SER 26 HB2 SER 26 16.876 35.953 10.888 166 HB3 SER 26 HB3 SER 26 17.618 35.958 9.288 167 HG SER 26 HG SER 26 16.861 38.020 9.772 168 H ALA 27 H ALA 27 13.311 35.826 9.339 169 HA ALA 27 HA ALA 27 13.270 37.250 6.921 170 HB1 ALA 27 HB1 ALA 27 11.676 34.800 6.473 171 HB2 ALA 27 HB2 ALA 27 12.541 35.820 5.324 172 HB3 ALA 27 HB3 ALA 27 13.426 34.653 6.306 173 H ALA 28 H ALA 28 10.937 37.656 6.182 174 HA ALA 28 HA ALA 28 9.453 38.628 8.348 175 HB1 ALA 28 HB1 ALA 28 7.782 38.189 6.044 176 HB2 ALA 28 HB2 ALA 28 8.360 39.703 6.740 177 HB3 ALA 28 HB3 ALA 28 9.351 38.838 5.565 178 H THR 29 H THR 29 8.885 37.138 9.871 179 HA THR 29 HA THR 29 7.187 34.897 8.987 180 HB THR 29 HB THR 29 8.190 34.795 11.746 181 HG1 THR 29 HG1 THR 29 10.258 34.893 11.305 182 HG21 THR 29 HG21 THR 29 8.420 32.802 9.493 183 HG22 THR 29 HG22 THR 29 8.522 32.484 11.224 184 HG23 THR 29 HG23 THR 29 6.987 32.972 10.506 185 H PHE 30 H PHE 30 5.171 34.664 9.809 186 HA PHE 30 HA PHE 30 4.318 36.169 12.128 187 HB2 PHE 30 HB2 PHE 30 2.597 37.437 11.043 188 HB3 PHE 30 HB3 PHE 30 4.103 37.758 10.190 189 HD1 PHE 30 HD1 PHE 30 4.542 36.067 8.168 190 HD2 PHE 30 HD2 PHE 30 0.730 37.065 9.776 191 HE1 PHE 30 HE1 PHE 30 3.480 35.413 6.047 192 HE2 PHE 30 HE2 PHE 30 -0.339 36.413 7.658 193 HZ PHE 30 HZ PHE 30 1.036 35.585 5.790 194 H LYS 31 H LYS 31 1.852 35.800 12.444 195 HA LYS 31 HA LYS 31 1.327 32.962 11.869 196 HB2 LYS 31 HB2 LYS 31 1.498 33.322 14.224 197 HB3 LYS 31 HB3 LYS 31 0.459 34.738 14.149 198 HG2 LYS 31 HG2 LYS 31 -1.430 33.296 13.523 199 HG3 LYS 31 HG3 LYS 31 -0.378 31.886 13.666 200 HD2 LYS 31 HD2 LYS 31 -0.681 33.794 15.955 201 HD3 LYS 31 HD3 LYS 31 -1.896 32.548 15.663 202 HE2 LYS 31 HE2 LYS 31 -0.425 30.824 16.111 203 HE3 LYS 31 HE3 LYS 31 0.995 31.803 15.746 204 HZ1 LYS 31 HZ1 LYS 31 0.034 31.244 18.231 205 HZ2 LYS 31 HZ2 LYS 31 1.145 32.462 17.850 206 HZ3 LYS 31 HZ3 LYS 31 -0.504 32.825 17.959 207 H CYS 32 H CYS 32 -0.309 32.463 10.571 208 HA CYS 32 HA CYS 32 -1.902 34.437 9.331 209 HB2 CYS 32 HB2 CYS 32 -1.259 32.184 8.371 210 HB3 CYS 32 HB3 CYS 32 -2.487 31.476 9.413 211 HG CYS 32 HG CYS 32 -3.348 33.955 7.248 212 HA PRO 33 HA PRO 33 -4.986 34.886 12.494 213 HB2 PRO 33 HB2 PRO 33 -6.640 36.504 11.073 214 HB3 PRO 33 HB3 PRO 33 -5.138 37.075 11.810 215 HG2 PRO 33 HG2 PRO 33 -5.676 36.287 8.972 216 HG3 PRO 33 HG3 PRO 33 -4.754 37.668 9.594 217 HD2 PRO 33 HD2 PRO 33 -3.564 35.411 8.686 218 HD3 PRO 33 HD3 PRO 33 -2.875 36.393 9.995 219 H ASP 34 H ASP 34 -5.280 33.289 9.533 220 HA ASP 34 HA ASP 34 -8.107 32.675 9.826 221 HB2 ASP 34 HB2 ASP 34 -6.800 33.034 7.598 222 HB3 ASP 34 HB3 ASP 34 -6.290 31.363 7.829 223 H CYS 35 H CYS 35 -5.054 30.838 9.688 224 HA CYS 35 HA CYS 35 -6.388 28.691 11.199 225 HB2 CYS 35 HB2 CYS 35 -4.492 27.255 10.278 226 HB3 CYS 35 HB3 CYS 35 -5.706 27.788 9.122 227 HG CYS 35 HG CYS 35 -4.059 29.937 8.201 228 H GLY 36 H GLY 36 -3.340 30.473 10.839 229 HA2 GLY 36 HA2 GLY 36 -2.186 31.321 12.766 230 HA3 GLY 36 HA3 GLY 36 -2.827 29.974 13.694 231 H GLN 37 H GLN 37 -1.602 29.314 10.542 232 HA GLN 37 HA GLN 37 0.483 27.666 11.678 233 HB2 GLN 37 HB2 GLN 37 -0.220 28.151 8.779 234 HB3 GLN 37 HB3 GLN 37 0.836 26.886 9.394 235 HG2 GLN 37 HG2 GLN 37 -2.018 27.085 10.272 236 HG3 GLN 37 HG3 GLN 37 -1.573 26.278 8.769 237 HE21 GLN 37 HE21 GLN 37 -1.061 26.285 12.249 238 HE22 GLN 37 HE22 GLN 37 -0.660 24.610 12.379 239 H GLU 38 H GLU 38 2.525 28.260 11.959 240 HA GLU 38 HA GLU 38 3.508 30.804 11.559 241 HB2 GLU 38 HB2 GLU 38 4.495 28.893 12.947 242 HB3 GLU 38 HB3 GLU 38 5.264 28.358 11.460 243 HG2 GLU 38 HG2 GLU 38 6.643 30.215 11.349 244 HG3 GLU 38 HG3 GLU 38 5.614 31.165 12.419 245 H ILE 39 H ILE 39 3.710 31.889 9.723 246 HA ILE 39 HA ILE 39 4.424 30.440 7.272 247 HB ILE 39 HB ILE 39 3.552 33.307 7.317 248 HG12 ILE 39 HG12 ILE 39 1.745 30.881 7.398 249 HG13 ILE 39 HG13 ILE 39 1.875 32.126 8.636 250 HG21 ILE 39 HG21 ILE 39 2.917 32.928 5.086 251 HG22 ILE 39 HG22 ILE 39 4.467 32.108 5.270 252 HG23 ILE 39 HG23 ILE 39 2.970 31.176 5.282 253 HD11 ILE 39 HD11 ILE 39 0.146 32.040 6.419 254 HD12 ILE 39 HD12 ILE 39 0.315 33.315 7.626 255 HD13 ILE 39 HD13 ILE 39 1.275 33.367 6.147 256 H SER 40 H SER 40 6.295 30.789 6.229 257 HA SER 40 HA SER 40 8.087 32.857 7.322 258 HB2 SER 40 HB2 SER 40 8.529 30.043 6.511 259 HB3 SER 40 HB3 SER 40 9.791 31.185 6.045 260 HG SER 40 HG SER 40 8.779 30.765 8.665 261 H ARG 41 H ARG 41 8.281 34.545 6.019 262 HA ARG 41 HA ARG 41 8.227 34.091 3.108 263 HB2 ARG 41 HB2 ARG 41 7.285 36.440 4.746 264 HB3 ARG 41 HB3 ARG 41 7.540 36.540 3.009 265 HG2 ARG 41 HG2 ARG 41 5.770 35.127 2.536 266 HG3 ARG 41 HG3 ARG 41 5.771 34.421 4.153 267 HD2 ARG 41 HD2 ARG 41 3.858 35.935 3.760 268 HD3 ARG 41 HD3 ARG 41 4.888 36.458 5.091 269 HE ARG 41 HE ARG 41 5.884 37.842 3.013 270 HH11 ARG 41 HH11 ARG 41 2.640 37.392 4.194 271 HH12 ARG 41 HH12 ARG 41 2.088 38.942 3.652 272 HH21 ARG 41 HH21 ARG 41 5.170 39.885 2.295 273 HH22 ARG 41 HH22 ARG 41 3.528 40.359 2.571 274 H CYS 42 H CYS 42 9.931 34.734 1.929 275 HA CYS 42 HA CYS 42 12.312 35.579 3.265 276 HB2 CYS 42 HB2 CYS 42 12.012 34.095 1.124 277 HB3 CYS 42 HB3 CYS 42 12.013 35.641 0.284 278 HG CYS 42 HG CYS 42 14.560 36.038 0.321 279 H SER 43 H SER 43 13.613 37.451 2.508 280 HA SER 43 HA SER 43 12.361 39.857 2.977 281 HB2 SER 43 HB2 SER 43 14.842 39.423 1.295 282 HB3 SER 43 HB3 SER 43 14.368 40.936 2.067 283 HG SER 43 HG SER 43 15.019 40.195 3.944 284 H LYS 44 H LYS 44 13.049 38.330 -0.145 285 HA LYS 44 HA LYS 44 12.264 40.351 -1.858 286 HB2 LYS 44 HB2 LYS 44 11.898 37.365 -2.156 287 HB3 LYS 44 HB3 LYS 44 11.694 38.523 -3.464 288 HG2 LYS 44 HG2 LYS 44 14.243 38.085 -1.922 289 HG3 LYS 44 HG3 LYS 44 13.882 37.412 -3.513 290 HD2 LYS 44 HD2 LYS 44 13.586 39.749 -4.347 291 HD3 LYS 44 HD3 LYS 44 14.157 40.324 -2.779 292 HE2 LYS 44 HE2 LYS 44 16.305 39.486 -3.121 293 HE3 LYS 44 HE3 LYS 44 15.775 38.384 -4.391 294 HZ1 LYS 44 HZ1 LYS 44 15.406 40.263 -5.842 295 HZ2 LYS 44 HZ2 LYS 44 15.853 41.344 -4.620 296 HZ3 LYS 44 HZ3 LYS 44 16.999 40.285 -5.273 297 H CYS 45 H CYS 45 10.288 38.100 -0.027 298 HA CYS 45 HA CYS 45 7.835 38.441 -1.273 299 HB2 CYS 45 HB2 CYS 45 8.671 37.028 0.866 300 HB3 CYS 45 HB3 CYS 45 7.808 38.322 1.689 301 HG CYS 45 HG CYS 45 5.684 37.578 -0.483 302 H ARG 46 H ARG 46 9.612 40.614 0.756 303 HA ARG 46 HA ARG 46 7.688 42.276 1.787 304 HB2 ARG 46 HB2 ARG 46 10.409 42.920 0.660 305 HB3 ARG 46 HB3 ARG 46 9.410 44.125 1.460 306 HG2 ARG 46 HG2 ARG 46 9.442 42.847 3.510 307 HG3 ARG 46 HG3 ARG 46 10.346 41.555 2.717 308 HD2 ARG 46 HD2 ARG 46 11.306 44.390 3.092 309 HD3 ARG 46 HD3 ARG 46 11.790 43.010 4.076 310 HE ARG 46 HE ARG 46 12.428 42.211 1.584 311 HH11 ARG 46 HH11 ARG 46 13.106 45.114 3.382 312 HH12 ARG 46 HH12 ARG 46 14.618 45.408 2.588 313 HH21 ARG 46 HH21 ARG 46 14.417 42.588 0.532 314 HH22 ARG 46 HH22 ARG 46 15.362 43.971 0.967 315 H LYS 47 H LYS 47 8.873 42.108 -1.516 316 HA LYS 47 HA LYS 47 7.464 44.453 -2.387 317 HB2 LYS 47 HB2 LYS 47 8.879 42.231 -3.856 318 HB3 LYS 47 HB3 LYS 47 8.058 43.544 -4.690 319 HG2 LYS 47 HG2 LYS 47 10.178 44.065 -2.636 320 HG3 LYS 47 HG3 LYS 47 10.571 43.753 -4.328 321 HD2 LYS 47 HD2 LYS 47 9.446 45.684 -5.056 322 HD3 LYS 47 HD3 LYS 47 8.591 45.865 -3.523 323 HE2 LYS 47 HE2 LYS 47 10.403 46.784 -2.465 324 HE3 LYS 47 HE3 LYS 47 11.564 45.959 -3.503 325 HZ1 LYS 47 HZ1 LYS 47 9.963 47.778 -4.991 326 HZ2 LYS 47 HZ2 LYS 47 10.738 48.570 -3.712 327 HZ3 LYS 47 HZ3 LYS 47 11.647 47.705 -4.846 328 H GLN 48 H GLN 48 6.874 40.988 -2.386 329 HA GLN 48 HA GLN 48 4.467 41.220 -3.963 330 HB2 GLN 48 HB2 GLN 48 6.087 39.203 -3.832 331 HB3 GLN 48 HB3 GLN 48 5.235 38.807 -2.346 332 HG2 GLN 48 HG2 GLN 48 4.208 37.539 -4.027 333 HG3 GLN 48 HG3 GLN 48 3.106 38.875 -3.699 334 HE21 GLN 48 HE21 GLN 48 2.491 40.134 -5.333 335 HE22 GLN 48 HE22 GLN 48 3.142 40.081 -6.932 336 H SER 49 H SER 49 5.161 42.075 -0.898 337 HA SER 49 HA SER 49 3.208 40.965 0.728 338 HB2 SER 49 HB2 SER 49 5.057 42.482 1.477 339 HB3 SER 49 HB3 SER 49 4.144 43.842 0.825 340 HG SER 49 HG SER 49 3.887 43.285 3.156 341 H ASN 50 H ASN 50 2.937 43.407 -1.745 342 HA ASN 50 HA ASN 50 0.555 44.640 -1.103 343 HB2 ASN 50 HB2 ASN 50 1.992 45.264 -3.023 344 HB3 ASN 50 HB3 ASN 50 1.455 43.819 -3.874 345 HD21 ASN 50 HD21 ASN 50 0.112 44.364 -5.422 346 HD22 ASN 50 HD22 ASN 50 -1.165 45.523 -5.304 347 H LEU 51 H LEU 51 1.104 41.427 -2.350 348 HA LEU 51 HA LEU 51 -1.645 40.723 -1.784 349 HB2 LEU 51 HB2 LEU 51 -0.540 40.898 -4.533 350 HB3 LEU 51 HB3 LEU 51 -1.586 39.530 -4.157 351 HG LEU 51 HG LEU 51 -2.357 42.433 -3.859 352 HD11 LEU 51 HD11 LEU 51 -2.061 41.845 -6.198 353 HD12 LEU 51 HD12 LEU 51 -3.084 40.423 -5.986 354 HD13 LEU 51 HD13 LEU 51 -3.773 42.038 -5.818 355 HD21 LEU 51 HD21 LEU 51 -3.427 40.174 -2.650 356 HD22 LEU 51 HD22 LEU 51 -4.205 41.746 -2.828 357 HD23 LEU 51 HD23 LEU 51 -4.487 40.483 -4.025 358 H TYR 52 H TYR 52 -1.243 39.091 -0.429 359 HA TYR 52 HA TYR 52 0.621 36.988 -1.319 360 HB2 TYR 52 HB2 TYR 52 1.273 36.593 0.928 361 HB3 TYR 52 HB3 TYR 52 1.319 38.339 0.717 362 HD1 TYR 52 HD1 TYR 52 -0.879 39.605 1.413 363 HD2 TYR 52 HD2 TYR 52 0.186 35.717 2.774 364 HE1 TYR 52 HE1 TYR 52 -2.369 39.881 3.350 365 HE2 TYR 52 HE2 TYR 52 -1.301 35.982 4.714 366 HH TYR 52 HH TYR 52 -3.664 38.193 4.932 367 H GLU 53 H GLU 53 0.121 34.877 0.018 368 HA GLU 53 HA GLU 53 -2.673 34.424 0.553 369 HB2 GLU 53 HB2 GLU 53 -2.727 34.252 -1.861 370 HB3 GLU 53 HB3 GLU 53 -1.354 33.154 -1.850 371 HG2 GLU 53 HG2 GLU 53 -2.769 31.553 -0.538 372 HG3 GLU 53 HG3 GLU 53 -4.135 32.622 -0.848 373 H CYS 54 H CYS 54 -2.736 33.092 2.227 374 HA CYS 54 HA CYS 54 -0.471 31.739 3.212 375 HB2 CYS 54 HB2 CYS 54 -2.373 32.492 4.618 376 HB3 CYS 54 HB3 CYS 54 -3.377 31.244 3.890 377 HG CYS 54 HG CYS 54 -2.762 30.280 6.373 378 HA PRO 55 HA PRO 55 -0.736 28.253 0.410 379 HB2 PRO 55 HB2 PRO 55 1.570 27.092 1.252 380 HB3 PRO 55 HB3 PRO 55 1.536 28.470 0.145 381 HG2 PRO 55 HG2 PRO 55 2.017 28.425 3.099 382 HG3 PRO 55 HG3 PRO 55 2.864 29.346 1.842 383 HD2 PRO 55 HD2 PRO 55 0.964 30.449 3.425 384 HD3 PRO 55 HD3 PRO 55 1.225 30.963 1.746 385 H ASP 56 H ASP 56 -0.855 28.358 3.813 386 HA ASP 56 HA ASP 56 -1.010 25.508 4.229 387 HB2 ASP 56 HB2 ASP 56 -1.872 27.636 6.183 388 HB3 ASP 56 HB3 ASP 56 -1.304 26.005 6.528 389 H CYS 57 H CYS 57 -3.329 28.188 4.659 390 HA CYS 57 HA CYS 57 -5.506 26.246 4.281 391 HB2 CYS 57 HB2 CYS 57 -6.948 27.902 5.408 392 HB3 CYS 57 HB3 CYS 57 -5.594 27.412 6.419 393 HG CYS 57 HG CYS 57 -6.537 30.382 5.898 394 H GLY 58 H GLY 58 -3.867 27.692 2.205 395 HA2 GLY 58 HA2 GLY 58 -4.177 28.914 0.270 396 HA3 GLY 58 HA3 GLY 58 -5.681 28.007 0.207 397 H PHE 59 H PHE 59 -4.698 30.523 2.501 398 HA PHE 59 HA PHE 59 -7.170 31.951 1.917 399 HB2 PHE 59 HB2 PHE 59 -6.732 31.640 4.250 400 HB3 PHE 59 HB3 PHE 59 -5.091 32.256 4.086 401 HD1 PHE 59 HD1 PHE 59 -8.412 33.545 2.976 402 HD2 PHE 59 HD2 PHE 59 -4.878 34.220 5.252 403 HE1 PHE 59 HE1 PHE 59 -9.209 35.803 3.538 404 HE2 PHE 59 HE2 PHE 59 -5.671 36.479 5.818 405 HZ PHE 59 HZ PHE 59 -7.839 37.273 4.962 406 H MET 60 H MET 60 -7.002 33.190 0.140 407 HA MET 60 HA MET 60 -4.571 34.588 -0.518 408 HB2 MET 60 HB2 MET 60 -7.310 34.781 -1.782 409 HB3 MET 60 HB3 MET 60 -5.813 35.410 -2.458 410 HG2 MET 60 HG2 MET 60 -5.085 33.368 -3.119 411 HG3 MET 60 HG3 MET 60 -5.893 32.528 -1.797 412 HE1 MET 60 HE1 MET 60 -5.379 32.189 -4.840 413 HE2 MET 60 HE2 MET 60 -6.613 30.930 -4.882 414 HE3 MET 60 HE3 MET 60 -6.765 32.350 -5.918 415 H GLY 61 H GLY 61 -4.010 36.539 0.185 416 HA2 GLY 61 HA2 GLY 61 -6.140 38.424 0.956 417 HA3 GLY 61 HA3 GLY 61 -4.800 38.115 2.050 418 HA PRO 62 HA PRO 62 -3.844 41.696 -0.849 419 HB2 PRO 62 HB2 PRO 62 -3.579 43.587 1.081 420 HB3 PRO 62 HB3 PRO 62 -5.121 43.225 0.296 421 HG2 PRO 62 HG2 PRO 62 -4.083 42.302 2.948 422 HG3 PRO 62 HG3 PRO 62 -5.706 42.874 2.519 423 HD2 PRO 62 HD2 PRO 62 -5.106 40.246 2.771 424 HD3 PRO 62 HD3 PRO 62 -6.321 40.842 1.622 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -1.800 11.304 -8.433 2 HA2 GLY 1 HA2 GLY 1 0.814 10.631 -9.172 3 HA3 GLY 1 HA3 GLY 1 0.369 12.004 -8.169 4 H ALA 2 H ALA 2 2.520 9.765 -8.153 5 HA ALA 2 HA ALA 2 2.077 8.655 -5.494 6 HB1 ALA 2 HB1 ALA 2 4.571 7.818 -6.263 7 HB2 ALA 2 HB2 ALA 2 3.066 6.937 -6.526 8 HB3 ALA 2 HB3 ALA 2 3.721 7.962 -7.802 9 H MET 3 H MET 3 4.206 10.910 -7.168 10 HA MET 3 HA MET 3 5.844 11.377 -4.846 11 HB2 MET 3 HB2 MET 3 5.734 12.408 -7.636 12 HB3 MET 3 HB3 MET 3 6.518 13.416 -6.427 13 HG2 MET 3 HG2 MET 3 8.070 11.654 -5.898 14 HG3 MET 3 HG3 MET 3 7.235 10.549 -6.986 15 HE1 MET 3 HE1 MET 3 8.625 10.646 -10.036 16 HE2 MET 3 HE2 MET 3 9.952 10.352 -8.912 17 HE3 MET 3 HE3 MET 3 8.327 9.788 -8.524 18 H GLY 4 H GLY 4 6.028 13.420 -3.751 19 HA2 GLY 4 HA2 GLY 4 3.745 15.236 -4.019 20 HA3 GLY 4 HA3 GLY 4 3.987 14.451 -2.465 21 H SER 5 H SER 5 4.256 17.311 -3.687 22 HA SER 5 HA SER 5 6.953 17.886 -2.668 23 HB2 SER 5 HB2 SER 5 6.623 20.108 -3.828 24 HB3 SER 5 HB3 SER 5 6.678 18.709 -4.901 25 HG SER 5 HG SER 5 4.766 19.245 -5.551 26 H GLU 6 H GLU 6 3.566 18.862 -2.418 27 HA GLU 6 HA GLU 6 4.054 20.832 -0.398 28 HB2 GLU 6 HB2 GLU 6 1.621 20.952 -0.211 29 HB3 GLU 6 HB3 GLU 6 2.122 20.994 -1.895 30 HG2 GLU 6 HG2 GLU 6 1.599 18.582 -2.065 31 HG3 GLU 6 HG3 GLU 6 0.986 18.635 -0.413 32 H SER 7 H SER 7 3.034 17.461 -0.433 33 HA SER 7 HA SER 7 2.256 17.193 2.230 34 HB2 SER 7 HB2 SER 7 3.545 15.179 0.375 35 HB3 SER 7 HB3 SER 7 2.829 14.770 1.934 36 HG SER 7 HG SER 7 0.873 15.078 1.138 37 H GLU 8 H GLU 8 5.460 16.823 0.752 38 HA GLU 8 HA GLU 8 6.735 16.213 3.250 39 HB2 GLU 8 HB2 GLU 8 7.879 16.959 0.554 40 HB3 GLU 8 HB3 GLU 8 8.840 16.449 1.935 41 HG2 GLU 8 HG2 GLU 8 7.604 14.299 1.934 42 HG3 GLU 8 HG3 GLU 8 6.790 14.816 0.458 43 H GLN 9 H GLN 9 8.365 17.521 4.271 44 HA GLN 9 HA GLN 9 8.634 20.293 3.616 45 HB2 GLN 9 HB2 GLN 9 7.541 21.264 5.498 46 HB3 GLN 9 HB3 GLN 9 6.381 20.188 4.732 47 HG2 GLN 9 HG2 GLN 9 7.174 18.451 6.451 48 HG3 GLN 9 HG3 GLN 9 7.859 19.832 7.307 49 HE21 GLN 9 HE21 GLN 9 6.282 21.682 7.602 50 HE22 GLN 9 HE22 GLN 9 4.679 21.256 8.084 51 H ARG 10 H ARG 10 10.278 21.320 4.791 52 HA ARG 10 HA ARG 10 12.044 19.464 6.194 53 HB2 ARG 10 HB2 ARG 10 12.442 22.130 4.871 54 HB3 ARG 10 HB3 ARG 10 13.637 21.503 5.998 55 HG2 ARG 10 HG2 ARG 10 14.431 20.845 3.918 56 HG3 ARG 10 HG3 ARG 10 13.628 19.399 4.535 57 HD2 ARG 10 HD2 ARG 10 11.653 19.908 3.212 58 HD3 ARG 10 HD3 ARG 10 12.402 21.397 2.637 59 HE ARG 10 HE ARG 10 13.950 19.050 2.064 60 HH11 ARG 10 HH11 ARG 10 11.331 21.072 0.981 61 HH12 ARG 10 HH12 ARG 10 11.492 20.614 -0.682 62 HH21 ARG 10 HH21 ARG 10 14.172 18.439 -0.122 63 HH22 ARG 10 HH22 ARG 10 13.108 19.115 -1.308 64 H HIS 11 H HIS 11 13.267 20.319 8.087 65 HA HIS 11 HA HIS 11 11.396 21.548 9.946 66 HB2 HIS 11 HB2 HIS 11 14.101 20.265 10.370 67 HB3 HIS 11 HB3 HIS 11 13.102 20.924 11.662 68 HD1 HIS 11 HD1 HIS 11 10.859 19.644 12.179 69 HD2 HIS 11 HD2 HIS 11 13.399 17.742 9.497 70 HE1 HIS 11 HE1 HIS 11 10.026 17.276 12.028 71 H ALA 12 H ALA 12 11.710 23.593 8.595 72 HA ALA 12 HA ALA 12 13.301 25.408 10.099 73 HB1 ALA 12 HB1 ALA 12 15.221 25.253 8.984 74 HB2 ALA 12 HB2 ALA 12 14.497 24.236 7.737 75 HB3 ALA 12 HB3 ALA 12 14.387 25.992 7.617 76 H HIS 13 H HIS 13 12.792 27.569 9.676 77 HA HIS 13 HA HIS 13 10.253 27.977 8.413 78 HB2 HIS 13 HB2 HIS 13 12.122 30.125 9.412 79 HB3 HIS 13 HB3 HIS 13 10.371 30.208 9.246 80 HD1 HIS 13 HD1 HIS 13 12.092 30.663 11.913 81 HD2 HIS 13 HD2 HIS 13 9.891 27.286 10.907 82 HE1 HIS 13 HE1 HIS 13 11.562 29.531 14.096 83 H GLN 14 H GLN 14 10.228 27.847 6.242 84 HA GLN 14 HA GLN 14 12.254 29.355 4.736 85 HB2 GLN 14 HB2 GLN 14 10.733 26.866 4.207 86 HB3 GLN 14 HB3 GLN 14 11.026 27.913 2.825 87 HG2 GLN 14 HG2 GLN 14 13.206 27.418 2.748 88 HG3 GLN 14 HG3 GLN 14 13.376 27.427 4.503 89 HE21 GLN 14 HE21 GLN 14 11.467 25.509 2.205 90 HE22 GLN 14 HE22 GLN 14 12.002 23.971 2.781 91 H CYS 15 H CYS 15 11.415 30.274 2.620 92 HA CYS 15 HA CYS 15 9.338 32.121 3.202 93 HB2 CYS 15 HB2 CYS 15 11.337 32.487 1.668 94 HB3 CYS 15 HB3 CYS 15 10.468 31.541 0.466 95 HG CYS 15 HG CYS 15 10.151 34.185 -0.250 96 H VAL 16 H VAL 16 7.248 32.235 2.484 97 HA VAL 16 HA VAL 16 5.965 29.762 1.844 98 HB VAL 16 HB VAL 16 3.892 30.995 1.872 99 HG11 VAL 16 HG11 VAL 16 5.179 30.513 4.016 100 HG12 VAL 16 HG12 VAL 16 5.589 32.229 4.023 101 HG13 VAL 16 HG13 VAL 16 3.900 31.725 4.106 102 HG21 VAL 16 HG21 VAL 16 4.504 32.938 0.594 103 HG22 VAL 16 HG22 VAL 16 3.893 33.463 2.163 104 HG23 VAL 16 HG23 VAL 16 5.628 33.461 1.848 105 H SER 17 H SER 17 7.104 32.494 0.025 106 HA SER 17 HA SER 17 5.574 31.918 -2.336 107 HB2 SER 17 HB2 SER 17 6.154 34.162 -2.250 108 HB3 SER 17 HB3 SER 17 7.772 33.827 -1.633 109 HG SER 17 HG SER 17 8.451 33.327 -3.640 110 H CYS 18 H CYS 18 9.083 31.820 -1.691 111 HA CYS 18 HA CYS 18 9.311 29.733 -3.752 112 HB2 CYS 18 HB2 CYS 18 10.628 31.721 -4.240 113 HB3 CYS 18 HB3 CYS 18 11.396 31.633 -2.659 114 HG CYS 18 HG CYS 18 12.941 29.461 -3.164 115 H GLY 19 H GLY 19 11.374 30.614 -0.990 116 HA2 GLY 19 HA2 GLY 19 10.946 28.780 0.880 117 HA3 GLY 19 HA3 GLY 19 11.674 27.780 -0.367 118 H ILE 20 H ILE 20 12.494 31.118 0.455 119 HA ILE 20 HA ILE 20 15.249 30.726 0.382 120 HB ILE 20 HB ILE 20 13.714 32.822 1.923 121 HG12 ILE 20 HG12 ILE 20 14.797 34.038 -0.280 122 HG13 ILE 20 HG13 ILE 20 14.388 32.449 -0.917 123 HG21 ILE 20 HG21 ILE 20 16.614 32.715 1.106 124 HG22 ILE 20 HG22 ILE 20 15.805 34.130 1.780 125 HG23 ILE 20 HG23 ILE 20 15.976 32.667 2.749 126 HD11 ILE 20 HD11 ILE 20 12.344 33.902 0.672 127 HD12 ILE 20 HD12 ILE 20 12.676 34.434 -0.977 128 HD13 ILE 20 HD13 ILE 20 12.147 32.779 -0.674 129 H ASN 21 H ASN 21 16.811 30.350 1.921 130 HA ASN 21 HA ASN 21 15.984 28.827 4.211 131 HB2 ASN 21 HB2 ASN 21 18.672 29.641 3.113 132 HB3 ASN 21 HB3 ASN 21 18.511 28.772 4.637 133 HD21 ASN 21 HD21 ASN 21 19.501 28.193 1.768 134 HD22 ASN 21 HD22 ASN 21 18.827 26.637 1.436 135 H ILE 22 H ILE 22 14.796 31.002 4.837 136 HA ILE 22 HA ILE 22 16.558 32.712 6.431 137 HB ILE 22 HB ILE 22 14.556 34.140 6.735 138 HG12 ILE 22 HG12 ILE 22 13.253 32.224 4.788 139 HG13 ILE 22 HG13 ILE 22 12.874 32.329 6.503 140 HG21 ILE 22 HG21 ILE 22 15.114 35.237 4.875 141 HG22 ILE 22 HG22 ILE 22 16.165 33.868 4.513 142 HG23 ILE 22 HG23 ILE 22 14.538 33.932 3.837 143 HD11 ILE 22 HD11 ILE 22 11.787 33.811 4.352 144 HD12 ILE 22 HD12 ILE 22 11.382 33.893 6.067 145 HD13 ILE 22 HD13 ILE 22 12.650 34.928 5.409 146 H ALA 23 H ALA 23 16.011 29.987 7.250 147 HA ALA 23 HA ALA 23 14.121 30.115 9.425 148 HB1 ALA 23 HB1 ALA 23 14.490 28.039 8.151 149 HB2 ALA 23 HB2 ALA 23 16.137 27.969 8.777 150 HB3 ALA 23 HB3 ALA 23 14.768 27.829 9.880 151 H GLY 24 H GLY 24 14.576 31.122 11.267 152 HA2 GLY 24 HA2 GLY 24 15.789 31.175 13.328 153 HA3 GLY 24 HA3 GLY 24 17.244 30.744 12.442 154 H MET 25 H MET 25 16.496 32.777 10.339 155 HA MET 25 HA MET 25 17.746 35.037 11.686 156 HB2 MET 25 HB2 MET 25 18.130 35.925 9.458 157 HB3 MET 25 HB3 MET 25 18.658 34.249 9.532 158 HG2 MET 25 HG2 MET 25 16.886 33.500 8.233 159 HG3 MET 25 HG3 MET 25 15.930 34.950 8.532 160 HE1 MET 25 HE1 MET 25 17.110 37.173 8.218 161 HE2 MET 25 HE2 MET 25 18.321 37.541 6.990 162 HE3 MET 25 HE3 MET 25 16.615 37.470 6.551 163 H SER 26 H SER 26 16.958 37.259 10.713 164 HA SER 26 HA SER 26 14.254 37.572 11.618 165 HB2 SER 26 HB2 SER 26 15.963 39.272 12.107 166 HB3 SER 26 HB3 SER 26 16.142 39.592 10.382 167 HG SER 26 HG SER 26 14.514 40.891 10.547 168 H ALA 27 H ALA 27 12.459 38.212 10.443 169 HA ALA 27 HA ALA 27 12.425 38.903 7.730 170 HB1 ALA 27 HB1 ALA 27 11.223 36.293 7.611 171 HB2 ALA 27 HB2 ALA 27 12.480 36.996 6.593 172 HB3 ALA 27 HB3 ALA 27 12.916 36.173 8.091 173 H ALA 28 H ALA 28 10.107 38.381 6.774 174 HA ALA 28 HA ALA 28 8.245 39.708 8.383 175 HB1 ALA 28 HB1 ALA 28 8.362 39.072 5.761 176 HB2 ALA 28 HB2 ALA 28 7.133 37.935 6.315 177 HB3 ALA 28 HB3 ALA 28 6.912 39.667 6.570 178 H THR 29 H THR 29 7.878 38.812 10.366 179 HA THR 29 HA THR 29 6.903 36.039 10.457 180 HB THR 29 HB THR 29 7.211 37.125 13.079 181 HG1 THR 29 HG1 THR 29 9.524 37.522 12.916 182 HG21 THR 29 HG21 THR 29 9.178 35.362 12.949 183 HG22 THR 29 HG22 THR 29 7.490 34.852 12.957 184 HG23 THR 29 HG23 THR 29 8.380 34.933 11.436 185 H PHE 30 H PHE 30 4.764 35.876 10.365 186 HA PHE 30 HA PHE 30 3.151 37.646 12.056 187 HB2 PHE 30 HB2 PHE 30 1.428 37.698 10.194 188 HB3 PHE 30 HB3 PHE 30 2.883 38.650 9.917 189 HD1 PHE 30 HD1 PHE 30 4.639 37.785 8.382 190 HD2 PHE 30 HD2 PHE 30 0.835 35.914 8.771 191 HE1 PHE 30 HE1 PHE 30 5.004 36.608 6.253 192 HE2 PHE 30 HE2 PHE 30 1.194 34.734 6.643 193 HZ PHE 30 HZ PHE 30 3.281 35.079 5.381 194 H LYS 31 H LYS 31 1.071 36.780 12.627 195 HA LYS 31 HA LYS 31 1.113 33.857 12.737 196 HB2 LYS 31 HB2 LYS 31 0.880 34.932 14.876 197 HB3 LYS 31 HB3 LYS 31 -0.448 35.924 14.290 198 HG2 LYS 31 HG2 LYS 31 -1.789 33.860 13.987 199 HG3 LYS 31 HG3 LYS 31 -0.472 32.946 14.726 200 HD2 LYS 31 HD2 LYS 31 -1.998 35.200 16.031 201 HD3 LYS 31 HD3 LYS 31 -2.239 33.480 16.345 202 HE2 LYS 31 HE2 LYS 31 0.071 33.308 17.140 203 HE3 LYS 31 HE3 LYS 31 0.307 35.027 16.828 204 HZ1 LYS 31 HZ1 LYS 31 -1.301 33.726 18.921 205 HZ2 LYS 31 HZ2 LYS 31 -0.188 34.993 19.058 206 HZ3 LYS 31 HZ3 LYS 31 -1.717 35.279 18.394 207 H CYS 32 H CYS 32 -0.139 32.686 11.451 208 HA CYS 32 HA CYS 32 -1.939 33.838 9.606 209 HB2 CYS 32 HB2 CYS 32 -0.673 31.658 9.343 210 HB3 CYS 32 HB3 CYS 32 -1.860 30.932 10.421 211 HG CYS 32 HG CYS 32 -3.408 30.255 8.500 212 HA PRO 33 HA PRO 33 -5.481 34.227 12.248 213 HB2 PRO 33 HB2 PRO 33 -7.241 34.929 10.304 214 HB3 PRO 33 HB3 PRO 33 -6.039 36.047 10.961 215 HG2 PRO 33 HG2 PRO 33 -5.955 34.448 8.432 216 HG3 PRO 33 HG3 PRO 33 -5.483 36.135 8.705 217 HD2 PRO 33 HD2 PRO 33 -3.678 34.122 8.570 218 HD3 PRO 33 HD3 PRO 33 -3.439 35.552 9.594 219 H ASP 34 H ASP 34 -4.947 31.904 9.861 220 HA ASP 34 HA ASP 34 -7.565 30.653 10.114 221 HB2 ASP 34 HB2 ASP 34 -6.109 30.789 7.958 222 HB3 ASP 34 HB3 ASP 34 -5.235 29.433 8.666 223 H CYS 35 H CYS 35 -4.165 29.756 10.698 224 HA CYS 35 HA CYS 35 -5.125 27.758 12.638 225 HB2 CYS 35 HB2 CYS 35 -2.820 26.719 12.272 226 HB3 CYS 35 HB3 CYS 35 -3.967 26.587 10.944 227 HG CYS 35 HG CYS 35 -1.307 27.074 10.029 228 H GLY 36 H GLY 36 -2.577 30.149 12.008 229 HA2 GLY 36 HA2 GLY 36 -1.961 31.731 13.716 230 HA3 GLY 36 HA3 GLY 36 -2.341 30.510 14.922 231 H GLN 37 H GLN 37 -0.590 29.517 12.124 232 HA GLN 37 HA GLN 37 1.690 28.845 13.768 233 HB2 GLN 37 HB2 GLN 37 1.190 28.399 10.820 234 HB3 GLN 37 HB3 GLN 37 2.539 27.737 11.734 235 HG2 GLN 37 HG2 GLN 37 -0.344 27.164 12.365 236 HG3 GLN 37 HG3 GLN 37 0.655 26.155 11.321 237 HE21 GLN 37 HE21 GLN 37 -0.387 26.676 14.437 238 HE22 GLN 37 HE22 GLN 37 0.769 25.703 15.275 239 H GLU 38 H GLU 38 3.775 29.620 13.544 240 HA GLU 38 HA GLU 38 4.037 32.331 12.769 241 HB2 GLU 38 HB2 GLU 38 5.664 30.318 14.068 242 HB3 GLU 38 HB3 GLU 38 6.618 31.265 12.936 243 HG2 GLU 38 HG2 GLU 38 6.858 32.633 14.694 244 HG3 GLU 38 HG3 GLU 38 5.285 33.238 14.178 245 H ILE 39 H ILE 39 4.079 33.028 10.743 246 HA ILE 39 HA ILE 39 5.264 31.324 8.666 247 HB ILE 39 HB ILE 39 3.588 33.793 8.236 248 HG12 ILE 39 HG12 ILE 39 2.695 30.902 8.282 249 HG13 ILE 39 HG13 ILE 39 2.317 32.103 9.512 250 HG21 ILE 39 HG21 ILE 39 5.073 32.957 6.392 251 HG22 ILE 39 HG22 ILE 39 4.108 31.481 6.381 252 HG23 ILE 39 HG23 ILE 39 3.356 33.029 5.997 253 HD11 ILE 39 HD11 ILE 39 0.897 33.281 8.085 254 HD12 ILE 39 HD12 ILE 39 1.544 32.493 6.646 255 HD13 ILE 39 HD13 ILE 39 0.537 31.583 7.772 256 H SER 40 H SER 40 7.200 31.806 7.885 257 HA SER 40 HA SER 40 8.255 34.519 8.325 258 HB2 SER 40 HB2 SER 40 10.454 33.587 8.379 259 HB3 SER 40 HB3 SER 40 9.450 32.554 9.397 260 HG SER 40 HG SER 40 10.772 31.970 7.076 261 H ARG 41 H ARG 41 8.142 35.743 6.569 262 HA ARG 41 HA ARG 41 8.637 34.489 3.948 263 HB2 ARG 41 HB2 ARG 41 6.974 36.930 4.595 264 HB3 ARG 41 HB3 ARG 41 7.281 36.313 2.977 265 HG2 ARG 41 HG2 ARG 41 6.211 34.150 3.758 266 HG3 ARG 41 HG3 ARG 41 5.668 35.056 5.172 267 HD2 ARG 41 HD2 ARG 41 5.036 35.666 2.287 268 HD3 ARG 41 HD3 ARG 41 3.925 35.015 3.492 269 HE ARG 41 HE ARG 41 4.902 37.419 4.484 270 HH11 ARG 41 HH11 ARG 41 2.987 36.299 1.801 271 HH12 ARG 41 HH12 ARG 41 2.073 37.765 1.673 272 HH21 ARG 41 HH21 ARG 41 3.704 39.354 4.326 273 HH22 ARG 41 HH22 ARG 41 2.482 39.502 3.109 274 H CYS 42 H CYS 42 10.444 35.082 2.958 275 HA CYS 42 HA CYS 42 12.231 36.976 4.022 276 HB2 CYS 42 HB2 CYS 42 12.601 34.949 2.380 277 HB3 CYS 42 HB3 CYS 42 12.370 36.177 1.142 278 HG CYS 42 HG CYS 42 14.729 37.199 1.255 279 H SER 43 H SER 43 13.120 38.853 2.789 280 HA SER 43 HA SER 43 11.255 40.852 2.468 281 HB2 SER 43 HB2 SER 43 13.866 40.801 0.954 282 HB3 SER 43 HB3 SER 43 13.000 42.205 1.576 283 HG SER 43 HG SER 43 14.061 41.957 3.359 284 H LYS 44 H LYS 44 12.456 38.568 0.095 285 HA LYS 44 HA LYS 44 11.618 39.737 -2.265 286 HB2 LYS 44 HB2 LYS 44 11.557 36.808 -1.516 287 HB3 LYS 44 HB3 LYS 44 11.441 37.432 -3.156 288 HG2 LYS 44 HG2 LYS 44 13.791 37.978 -1.366 289 HG3 LYS 44 HG3 LYS 44 13.702 36.586 -2.447 290 HD2 LYS 44 HD2 LYS 44 13.923 37.859 -4.327 291 HD3 LYS 44 HD3 LYS 44 13.134 39.261 -3.602 292 HE2 LYS 44 HE2 LYS 44 15.102 39.805 -2.355 293 HE3 LYS 44 HE3 LYS 44 15.881 38.295 -2.826 294 HZ1 LYS 44 HZ1 LYS 44 16.614 40.318 -4.074 295 HZ2 LYS 44 HZ2 LYS 44 16.080 39.040 -5.045 296 HZ3 LYS 44 HZ3 LYS 44 15.076 40.376 -4.778 297 H CYS 45 H CYS 45 9.732 38.242 0.245 298 HA CYS 45 HA CYS 45 7.388 37.607 -1.065 299 HB2 CYS 45 HB2 CYS 45 6.320 37.663 1.029 300 HB3 CYS 45 HB3 CYS 45 8.001 37.307 1.411 301 HG CYS 45 HG CYS 45 7.542 39.003 3.384 302 H ARG 46 H ARG 46 8.725 40.724 -0.381 303 HA ARG 46 HA ARG 46 6.551 42.396 -0.370 304 HB2 ARG 46 HB2 ARG 46 9.290 42.727 -1.572 305 HB3 ARG 46 HB3 ARG 46 8.101 44.022 -1.625 306 HG2 ARG 46 HG2 ARG 46 7.989 44.048 0.801 307 HG3 ARG 46 HG3 ARG 46 9.137 42.709 0.879 308 HD2 ARG 46 HD2 ARG 46 9.799 45.292 -0.501 309 HD3 ARG 46 HD3 ARG 46 10.043 45.075 1.231 310 HE ARG 46 HE ARG 46 11.316 42.944 0.163 311 HH11 ARG 46 HH11 ARG 46 11.463 46.368 -0.453 312 HH12 ARG 46 HH12 ARG 46 13.127 46.342 -0.936 313 HH21 ARG 46 HH21 ARG 46 13.507 42.897 -0.470 314 HH22 ARG 46 HH22 ARG 46 14.288 44.367 -0.946 315 H LYS 47 H LYS 47 8.003 40.741 -3.105 316 HA LYS 47 HA LYS 47 6.347 42.102 -5.041 317 HB2 LYS 47 HB2 LYS 47 8.365 39.880 -5.188 318 HB3 LYS 47 HB3 LYS 47 7.341 40.261 -6.566 319 HG2 LYS 47 HG2 LYS 47 8.219 42.507 -6.649 320 HG3 LYS 47 HG3 LYS 47 9.171 42.218 -5.191 321 HD2 LYS 47 HD2 LYS 47 10.724 41.918 -6.894 322 HD3 LYS 47 HD3 LYS 47 10.207 40.268 -6.539 323 HE2 LYS 47 HE2 LYS 47 10.262 40.545 -8.917 324 HE3 LYS 47 HE3 LYS 47 8.577 40.445 -8.411 325 HZ1 LYS 47 HZ1 LYS 47 8.226 42.369 -9.418 326 HZ2 LYS 47 HZ2 LYS 47 9.303 43.131 -8.359 327 HZ3 LYS 47 HZ3 LYS 47 9.862 42.506 -9.828 328 H GLN 48 H GLN 48 6.361 39.044 -3.325 329 HA GLN 48 HA GLN 48 4.180 37.952 -4.865 330 HB2 GLN 48 HB2 GLN 48 5.817 37.039 -2.539 331 HB3 GLN 48 HB3 GLN 48 4.267 36.264 -2.838 332 HG2 GLN 48 HG2 GLN 48 5.620 34.890 -4.035 333 HG3 GLN 48 HG3 GLN 48 5.220 36.068 -5.283 334 HE21 GLN 48 HE21 GLN 48 7.266 35.015 -6.112 335 HE22 GLN 48 HE22 GLN 48 8.753 35.787 -5.694 336 H SER 49 H SER 49 4.297 40.347 -2.669 337 HA SER 49 HA SER 49 2.374 39.820 -0.748 338 HB2 SER 49 HB2 SER 49 1.973 42.298 -0.750 339 HB3 SER 49 HB3 SER 49 3.675 41.849 -0.647 340 HG SER 49 HG SER 49 3.696 43.318 -2.218 341 H ASN 50 H ASN 50 1.989 40.626 -4.133 342 HA ASN 50 HA ASN 50 -0.665 41.380 -4.235 343 HB2 ASN 50 HB2 ASN 50 0.519 41.540 -6.253 344 HB3 ASN 50 HB3 ASN 50 1.083 39.874 -6.162 345 HD21 ASN 50 HD21 ASN 50 0.305 38.975 -7.951 346 HD22 ASN 50 HD22 ASN 50 -1.359 38.957 -8.416 347 H LEU 51 H LEU 51 0.716 38.173 -3.890 348 HA LEU 51 HA LEU 51 -1.830 37.147 -2.996 349 HB2 LEU 51 HB2 LEU 51 -1.732 36.939 -5.545 350 HB3 LEU 51 HB3 LEU 51 -0.494 35.715 -5.272 351 HG LEU 51 HG LEU 51 -2.301 34.589 -3.781 352 HD11 LEU 51 HD11 LEU 51 -4.319 35.678 -5.605 353 HD12 LEU 51 HD12 LEU 51 -4.429 35.282 -3.890 354 HD13 LEU 51 HD13 LEU 51 -3.728 36.819 -4.397 355 HD21 LEU 51 HD21 LEU 51 -3.387 33.867 -6.165 356 HD22 LEU 51 HD22 LEU 51 -1.852 34.567 -6.681 357 HD23 LEU 51 HD23 LEU 51 -1.870 33.238 -5.522 358 H TYR 52 H TYR 52 -1.460 35.858 -1.322 359 HA TYR 52 HA TYR 52 1.068 34.354 -1.226 360 HB2 TYR 52 HB2 TYR 52 1.438 34.917 1.032 361 HB3 TYR 52 HB3 TYR 52 0.984 36.435 0.266 362 HD1 TYR 52 HD1 TYR 52 -1.579 37.019 0.383 363 HD2 TYR 52 HD2 TYR 52 0.388 34.300 3.000 364 HE1 TYR 52 HE1 TYR 52 -3.373 37.322 2.038 365 HE2 TYR 52 HE2 TYR 52 -1.402 34.595 4.661 366 HH TYR 52 HH TYR 52 -4.333 36.289 3.923 367 H GLU 53 H GLU 53 0.949 32.638 0.577 368 HA GLU 53 HA GLU 53 -1.674 31.592 1.148 369 HB2 GLU 53 HB2 GLU 53 -1.517 30.716 -1.062 370 HB3 GLU 53 HB3 GLU 53 0.152 30.220 -0.820 371 HG2 GLU 53 HG2 GLU 53 -1.881 29.041 0.976 372 HG3 GLU 53 HG3 GLU 53 -1.887 28.522 -0.708 373 H CYS 54 H CYS 54 -1.650 30.443 2.989 374 HA CYS 54 HA CYS 54 0.801 30.201 4.443 375 HB2 CYS 54 HB2 CYS 54 -1.367 30.738 5.525 376 HB3 CYS 54 HB3 CYS 54 -1.940 29.122 5.131 377 HG CYS 54 HG CYS 54 -1.365 29.033 7.805 378 HA PRO 55 HA PRO 55 1.736 26.183 2.701 379 HB2 PRO 55 HB2 PRO 55 4.142 25.937 3.934 380 HB3 PRO 55 HB3 PRO 55 3.898 26.932 2.493 381 HG2 PRO 55 HG2 PRO 55 4.026 27.760 5.367 382 HG3 PRO 55 HG3 PRO 55 4.760 28.529 3.947 383 HD2 PRO 55 HD2 PRO 55 2.474 29.439 5.079 384 HD3 PRO 55 HD3 PRO 55 2.794 29.567 3.337 385 H ASP 56 H ASP 56 1.219 27.103 5.945 386 HA ASP 56 HA ASP 56 1.717 24.513 7.108 387 HB2 ASP 56 HB2 ASP 56 0.146 26.754 8.372 388 HB3 ASP 56 HB3 ASP 56 1.051 25.472 9.172 389 H CYS 57 H CYS 57 -1.218 26.495 6.666 390 HA CYS 57 HA CYS 57 -2.801 24.019 6.764 391 HB2 CYS 57 HB2 CYS 57 -4.725 25.483 7.284 392 HB3 CYS 57 HB3 CYS 57 -3.431 25.639 8.465 393 HG CYS 57 HG CYS 57 -4.959 28.015 7.009 394 H GLY 58 H GLY 58 -1.322 25.248 4.437 395 HA2 GLY 58 HA2 GLY 58 -1.687 25.785 2.220 396 HA3 GLY 58 HA3 GLY 58 -2.892 24.512 2.347 397 H PHE 59 H PHE 59 -2.889 27.703 3.884 398 HA PHE 59 HA PHE 59 -5.546 28.182 2.796 399 HB2 PHE 59 HB2 PHE 59 -5.315 28.638 5.138 400 HB3 PHE 59 HB3 PHE 59 -3.889 29.634 4.862 401 HD1 PHE 59 HD1 PHE 59 -7.262 29.573 3.271 402 HD2 PHE 59 HD2 PHE 59 -4.362 31.802 5.449 403 HE1 PHE 59 HE1 PHE 59 -8.691 31.570 3.124 404 HE2 PHE 59 HE2 PHE 59 -5.788 33.802 5.307 405 HZ PHE 59 HZ PHE 59 -7.955 33.688 4.142 406 H MET 60 H MET 60 -5.546 28.947 0.772 407 HA MET 60 HA MET 60 -3.476 30.736 -0.162 408 HB2 MET 60 HB2 MET 60 -5.979 29.792 -1.569 409 HB3 MET 60 HB3 MET 60 -4.610 30.602 -2.317 410 HG2 MET 60 HG2 MET 60 -3.250 28.747 -2.155 411 HG3 MET 60 HG3 MET 60 -4.197 28.041 -0.847 412 HE1 MET 60 HE1 MET 60 -6.888 26.109 -2.275 413 HE2 MET 60 HE2 MET 60 -5.292 25.475 -1.872 414 HE3 MET 60 HE3 MET 60 -5.997 26.771 -0.905 415 H GLY 61 H GLY 61 -3.566 32.890 -0.165 416 HA2 GLY 61 HA2 GLY 61 -6.194 34.202 -0.058 417 HA3 GLY 61 HA3 GLY 61 -4.994 34.598 1.163 418 HA PRO 62 HA PRO 62 -4.591 37.387 -2.609 419 HB2 PRO 62 HB2 PRO 62 -5.143 39.718 -1.330 420 HB3 PRO 62 HB3 PRO 62 -6.391 38.713 -2.078 421 HG2 PRO 62 HG2 PRO 62 -5.575 38.894 0.797 422 HG3 PRO 62 HG3 PRO 62 -7.203 38.816 0.099 423 HD2 PRO 62 HD2 PRO 62 -5.975 36.657 1.178 424 HD3 PRO 62 HD3 PRO 62 -7.109 36.530 -0.182 Start of MODEL 6 1 H1 GLY 1 H GLY 1 13.788 3.576 -6.422 2 HA2 GLY 1 HA2 GLY 1 11.969 2.134 -7.141 3 HA3 GLY 1 HA3 GLY 1 12.448 1.642 -5.524 4 H ALA 2 H ALA 2 10.150 3.628 -7.328 5 HA ALA 2 HA ALA 2 8.023 4.305 -6.871 6 HB1 ALA 2 HB1 ALA 2 6.564 2.693 -6.008 7 HB2 ALA 2 HB2 ALA 2 7.869 1.756 -6.734 8 HB3 ALA 2 HB3 ALA 2 7.812 1.980 -4.986 9 H MET 3 H MET 3 9.893 5.683 -5.421 10 HA MET 3 HA MET 3 9.205 5.719 -2.628 11 HB2 MET 3 HB2 MET 3 10.763 7.798 -4.165 12 HB3 MET 3 HB3 MET 3 10.790 7.510 -2.430 13 HG2 MET 3 HG2 MET 3 11.681 5.190 -3.009 14 HG3 MET 3 HG3 MET 3 11.965 5.841 -4.622 15 HE1 MET 3 HE1 MET 3 15.326 6.094 -4.273 16 HE2 MET 3 HE2 MET 3 13.863 6.136 -5.257 17 HE3 MET 3 HE3 MET 3 14.693 7.637 -4.849 18 H GLY 4 H GLY 4 7.939 7.176 -1.542 19 HA2 GLY 4 HA2 GLY 4 6.143 8.775 -3.228 20 HA3 GLY 4 HA3 GLY 4 5.815 8.256 -1.582 21 H SER 5 H SER 5 8.373 10.120 -3.230 22 HA SER 5 HA SER 5 9.038 11.727 -1.057 23 HB2 SER 5 HB2 SER 5 9.165 12.654 -3.927 24 HB3 SER 5 HB3 SER 5 10.225 13.105 -2.593 25 HG SER 5 HG SER 5 10.897 11.394 -4.229 26 H GLU 6 H GLU 6 6.582 12.172 -3.549 27 HA GLU 6 HA GLU 6 5.852 14.808 -2.820 28 HB2 GLU 6 HB2 GLU 6 3.854 14.431 -4.171 29 HB3 GLU 6 HB3 GLU 6 5.285 13.834 -5.000 30 HG2 GLU 6 HG2 GLU 6 4.668 11.551 -4.026 31 HG3 GLU 6 HG3 GLU 6 3.097 12.273 -3.681 32 H SER 7 H SER 7 4.782 11.628 -1.767 33 HA SER 7 HA SER 7 2.494 12.388 -0.346 34 HB2 SER 7 HB2 SER 7 3.001 10.048 -0.840 35 HB3 SER 7 HB3 SER 7 4.415 10.114 0.212 36 HG SER 7 HG SER 7 1.687 10.132 0.887 37 H GLU 8 H GLU 8 5.858 12.041 0.748 38 HA GLU 8 HA GLU 8 5.170 13.167 3.343 39 HB2 GLU 8 HB2 GLU 8 7.448 12.637 3.983 40 HB3 GLU 8 HB3 GLU 8 6.708 11.241 3.212 41 HG2 GLU 8 HG2 GLU 8 7.926 11.593 1.208 42 HG3 GLU 8 HG3 GLU 8 8.487 13.172 1.754 43 H GLN 9 H GLN 9 6.502 14.930 4.242 44 HA GLN 9 HA GLN 9 8.055 16.640 2.642 45 HB2 GLN 9 HB2 GLN 9 6.384 18.559 2.565 46 HB3 GLN 9 HB3 GLN 9 6.129 17.249 1.420 47 HG2 GLN 9 HG2 GLN 9 4.352 16.351 2.735 48 HG3 GLN 9 HG3 GLN 9 4.690 17.475 4.049 49 HE21 GLN 9 HE21 GLN 9 2.230 17.591 3.438 50 HE22 GLN 9 HE22 GLN 9 1.820 18.909 2.399 51 H ARG 10 H ARG 10 9.084 18.149 3.872 52 HA ARG 10 HA ARG 10 8.779 17.948 6.713 53 HB2 ARG 10 HB2 ARG 10 10.633 19.357 4.850 54 HB3 ARG 10 HB3 ARG 10 10.527 19.938 6.506 55 HG2 ARG 10 HG2 ARG 10 12.269 18.443 6.629 56 HG3 ARG 10 HG3 ARG 10 10.900 17.449 7.133 57 HD2 ARG 10 HD2 ARG 10 12.013 16.095 5.604 58 HD3 ARG 10 HD3 ARG 10 10.722 16.816 4.644 59 HE ARG 10 HE ARG 10 12.305 17.893 3.390 60 HH11 ARG 10 HH11 ARG 10 13.772 16.731 6.326 61 HH12 ARG 10 HH12 ARG 10 15.384 17.130 5.833 62 HH21 ARG 10 HH21 ARG 10 14.423 18.423 2.730 63 HH22 ARG 10 HH22 ARG 10 15.753 18.093 3.787 64 H HIS 11 H HIS 11 8.969 20.184 7.943 65 HA HIS 11 HA HIS 11 6.972 22.049 6.863 66 HB2 HIS 11 HB2 HIS 11 6.945 20.653 9.520 67 HB3 HIS 11 HB3 HIS 11 6.189 22.233 9.340 68 HD1 HIS 11 HD1 HIS 11 3.764 21.993 9.002 69 HD2 HIS 11 HD2 HIS 11 5.874 18.903 7.196 70 HE1 HIS 11 HE1 HIS 11 2.026 20.541 7.910 71 H ALA 12 H ALA 12 9.790 22.330 6.853 72 HA ALA 12 HA ALA 12 10.675 23.916 9.047 73 HB1 ALA 12 HB1 ALA 12 11.774 22.946 6.537 74 HB2 ALA 12 HB2 ALA 12 12.311 24.579 6.930 75 HB3 ALA 12 HB3 ALA 12 12.574 23.265 8.076 76 H HIS 13 H HIS 13 11.242 26.181 8.966 77 HA HIS 13 HA HIS 13 9.125 27.790 7.958 78 HB2 HIS 13 HB2 HIS 13 11.640 28.272 9.481 79 HB3 HIS 13 HB3 HIS 13 10.895 29.649 8.673 80 HD1 HIS 13 HD1 HIS 13 9.039 30.771 9.893 81 HD2 HIS 13 HD2 HIS 13 9.815 26.967 11.373 82 HE1 HIS 13 HE1 HIS 13 7.589 30.535 11.934 83 H GLN 14 H GLN 14 8.933 28.028 5.811 84 HA GLN 14 HA GLN 14 11.294 28.994 4.338 85 HB2 GLN 14 HB2 GLN 14 9.351 26.853 3.665 86 HB3 GLN 14 HB3 GLN 14 9.861 27.901 2.348 87 HG2 GLN 14 HG2 GLN 14 11.960 27.077 2.317 88 HG3 GLN 14 HG3 GLN 14 12.004 26.823 4.061 89 HE21 GLN 14 HE21 GLN 14 11.322 25.448 0.990 90 HE22 GLN 14 HE22 GLN 14 10.978 23.846 1.536 91 H CYS 15 H CYS 15 10.646 30.163 2.281 92 HA CYS 15 HA CYS 15 8.939 32.321 2.965 93 HB2 CYS 15 HB2 CYS 15 10.957 32.401 1.425 94 HB3 CYS 15 HB3 CYS 15 9.939 31.661 0.195 95 HG CYS 15 HG CYS 15 8.925 34.544 1.683 96 H VAL 16 H VAL 16 6.896 32.838 2.307 97 HA VAL 16 HA VAL 16 5.174 30.681 1.580 98 HB VAL 16 HB VAL 16 3.368 32.284 1.670 99 HG11 VAL 16 HG11 VAL 16 5.407 32.794 3.835 100 HG12 VAL 16 HG12 VAL 16 3.684 33.155 3.946 101 HG13 VAL 16 HG13 VAL 16 4.227 31.484 3.797 102 HG21 VAL 16 HG21 VAL 16 5.564 34.346 1.671 103 HG22 VAL 16 HG22 VAL 16 4.264 34.147 0.496 104 HG23 VAL 16 HG23 VAL 16 3.898 34.701 2.130 105 H SER 17 H SER 17 6.799 33.211 -0.156 106 HA SER 17 HA SER 17 5.170 33.022 -2.515 107 HB2 SER 17 HB2 SER 17 6.161 35.117 -2.345 108 HB3 SER 17 HB3 SER 17 7.696 34.458 -1.781 109 HG SER 17 HG SER 17 8.252 34.742 -3.794 110 H CYS 18 H CYS 18 8.604 32.251 -1.919 111 HA CYS 18 HA CYS 18 8.419 30.221 -4.041 112 HB2 CYS 18 HB2 CYS 18 10.054 31.950 -4.532 113 HB3 CYS 18 HB3 CYS 18 10.825 31.707 -2.969 114 HG CYS 18 HG CYS 18 11.911 29.265 -3.535 115 H GLY 19 H GLY 19 10.685 30.648 -1.334 116 HA2 GLY 19 HA2 GLY 19 9.957 28.855 0.502 117 HA3 GLY 19 HA3 GLY 19 10.518 27.795 -0.782 118 H ILE 20 H ILE 20 11.857 30.938 0.110 119 HA ILE 20 HA ILE 20 14.515 30.098 0.027 120 HB ILE 20 HB ILE 20 13.347 32.410 1.581 121 HG12 ILE 20 HG12 ILE 20 14.601 33.448 -0.620 122 HG13 ILE 20 HG13 ILE 20 13.941 31.948 -1.264 123 HG21 ILE 20 HG21 ILE 20 15.668 33.348 1.319 124 HG22 ILE 20 HG22 ILE 20 15.520 31.991 2.435 125 HG23 ILE 20 HG23 ILE 20 16.178 31.736 0.819 126 HD11 ILE 20 HD11 ILE 20 12.121 33.621 0.351 127 HD12 ILE 20 HD12 ILE 20 12.587 34.234 -1.235 128 HD13 ILE 20 HD13 ILE 20 11.805 32.660 -1.093 129 H ASN 21 H ASN 21 15.996 29.483 1.574 130 HA ASN 21 HA ASN 21 14.931 28.089 3.845 131 HB2 ASN 21 HB2 ASN 21 17.633 28.406 2.607 132 HB3 ASN 21 HB3 ASN 21 17.528 27.823 4.266 133 HD21 ASN 21 HD21 ASN 21 17.607 25.713 4.392 134 HD22 ASN 21 HD22 ASN 21 16.943 24.592 3.256 135 H ILE 22 H ILE 22 14.068 30.383 4.514 136 HA ILE 22 HA ILE 22 16.058 31.811 6.120 137 HB ILE 22 HB ILE 22 14.232 33.487 6.457 138 HG12 ILE 22 HG12 ILE 22 12.786 31.965 4.287 139 HG13 ILE 22 HG13 ILE 22 12.393 31.801 5.995 140 HG21 ILE 22 HG21 ILE 22 14.299 33.474 3.575 141 HG22 ILE 22 HG22 ILE 22 15.100 34.558 4.713 142 HG23 ILE 22 HG23 ILE 22 15.872 33.042 4.248 143 HD11 ILE 22 HD11 ILE 22 12.479 34.565 5.061 144 HD12 ILE 22 HD12 ILE 22 11.250 33.571 4.279 145 HD13 ILE 22 HD13 ILE 22 11.271 33.727 6.035 146 H ALA 23 H ALA 23 15.215 29.211 6.958 147 HA ALA 23 HA ALA 23 13.227 29.377 8.981 148 HB1 ALA 23 HB1 ALA 23 14.022 27.280 7.825 149 HB2 ALA 23 HB2 ALA 23 15.450 27.354 8.857 150 HB3 ALA 23 HB3 ALA 23 13.850 27.173 9.577 151 H GLY 24 H GLY 24 13.396 30.522 10.791 152 HA2 GLY 24 HA2 GLY 24 14.243 31.340 12.766 153 HA3 GLY 24 HA3 GLY 24 15.536 30.159 12.619 154 H MET 25 H MET 25 15.135 32.276 9.957 155 HA MET 25 HA MET 25 17.522 33.767 10.816 156 HB2 MET 25 HB2 MET 25 16.501 33.281 8.012 157 HB3 MET 25 HB3 MET 25 17.983 34.126 8.439 158 HG2 MET 25 HG2 MET 25 18.667 31.948 9.594 159 HG3 MET 25 HG3 MET 25 17.351 31.211 8.683 160 HE1 MET 25 HE1 MET 25 19.573 29.584 6.779 161 HE2 MET 25 HE2 MET 25 20.957 30.359 7.551 162 HE3 MET 25 HE3 MET 25 19.556 29.892 8.516 163 H SER 26 H SER 26 17.546 35.891 9.199 164 HA SER 26 HA SER 26 15.485 37.548 10.309 165 HB2 SER 26 HB2 SER 26 17.497 38.345 8.201 166 HB3 SER 26 HB3 SER 26 16.670 39.390 9.356 167 HG SER 26 HG SER 26 18.917 38.759 9.853 168 H ALA 27 H ALA 27 13.562 37.949 9.458 169 HA ALA 27 HA ALA 27 13.073 38.539 6.763 170 HB1 ALA 27 HB1 ALA 27 11.634 36.458 6.297 171 HB2 ALA 27 HB2 ALA 27 13.384 36.323 6.118 172 HB3 ALA 27 HB3 ALA 27 12.594 35.690 7.562 173 H ALA 28 H ALA 28 10.730 38.734 6.285 174 HA ALA 28 HA ALA 28 9.364 40.094 8.276 175 HB1 ALA 28 HB1 ALA 28 8.979 39.708 5.619 176 HB2 ALA 28 HB2 ALA 28 7.643 38.777 6.296 177 HB3 ALA 28 HB3 ALA 28 7.818 40.486 6.694 178 H THR 29 H THR 29 8.913 39.197 10.199 179 HA THR 29 HA THR 29 7.627 36.550 10.243 180 HB THR 29 HB THR 29 8.390 37.558 12.854 181 HG1 THR 29 HG1 THR 29 10.079 38.590 11.783 182 HG21 THR 29 HG21 THR 29 7.880 35.220 12.377 183 HG22 THR 29 HG22 THR 29 9.235 35.140 11.252 184 HG23 THR 29 HG23 THR 29 9.531 35.384 12.974 185 H PHE 30 H PHE 30 5.492 36.616 10.419 186 HA PHE 30 HA PHE 30 4.286 38.479 12.329 187 HB2 PHE 30 HB2 PHE 30 2.474 39.008 10.728 188 HB3 PHE 30 HB3 PHE 30 4.045 39.571 10.167 189 HD1 PHE 30 HD1 PHE 30 5.283 38.150 8.466 190 HD2 PHE 30 HD2 PHE 30 1.169 37.600 9.410 191 HE1 PHE 30 HE1 PHE 30 4.963 36.937 6.349 192 HE2 PHE 30 HE2 PHE 30 0.843 36.385 7.295 193 HZ PHE 30 HZ PHE 30 2.741 36.052 5.762 194 H LYS 31 H LYS 31 1.874 37.917 12.600 195 HA LYS 31 HA LYS 31 1.647 34.984 12.726 196 HB2 LYS 31 HB2 LYS 31 1.659 35.900 14.932 197 HB3 LYS 31 HB3 LYS 31 0.501 37.148 14.490 198 HG2 LYS 31 HG2 LYS 31 -1.212 35.414 14.163 199 HG3 LYS 31 HG3 LYS 31 -0.046 34.192 14.676 200 HD2 LYS 31 HD2 LYS 31 -0.966 36.529 16.350 201 HD3 LYS 31 HD3 LYS 31 -1.571 34.876 16.493 202 HE2 LYS 31 HE2 LYS 31 0.958 34.288 16.779 203 HE3 LYS 31 HE3 LYS 31 1.107 35.991 17.210 204 HZ1 LYS 31 HZ1 LYS 31 0.717 35.016 19.235 205 HZ2 LYS 31 HZ2 LYS 31 -0.857 35.443 18.784 206 HZ3 LYS 31 HZ3 LYS 31 -0.331 33.844 18.611 207 H CYS 32 H CYS 32 0.146 34.043 11.515 208 HA CYS 32 HA CYS 32 -1.553 35.512 9.803 209 HB2 CYS 32 HB2 CYS 32 -0.650 33.177 9.413 210 HB3 CYS 32 HB3 CYS 32 -1.870 32.602 10.543 211 HG CYS 32 HG CYS 32 -3.502 32.141 8.616 212 HA PRO 33 HA PRO 33 -4.839 36.342 12.671 213 HB2 PRO 33 HB2 PRO 33 -6.557 37.410 10.860 214 HB3 PRO 33 HB3 PRO 33 -5.159 38.288 11.492 215 HG2 PRO 33 HG2 PRO 33 -5.461 36.822 8.900 216 HG3 PRO 33 HG3 PRO 33 -4.710 38.398 9.213 217 HD2 PRO 33 HD2 PRO 33 -3.263 36.131 8.894 218 HD3 PRO 33 HD3 PRO 33 -2.745 37.453 9.960 219 H ASP 34 H ASP 34 -4.808 34.083 10.166 220 HA ASP 34 HA ASP 34 -7.578 33.258 10.505 221 HB2 ASP 34 HB2 ASP 34 -6.224 33.247 8.287 222 HB3 ASP 34 HB3 ASP 34 -5.530 31.750 8.906 223 H CYS 35 H CYS 35 -4.356 31.778 10.878 224 HA CYS 35 HA CYS 35 -5.550 29.889 12.797 225 HB2 CYS 35 HB2 CYS 35 -3.470 28.503 12.288 226 HB3 CYS 35 HB3 CYS 35 -4.667 28.625 11.004 227 HG CYS 35 HG CYS 35 -2.388 28.783 9.598 228 H GLY 36 H GLY 36 -2.679 31.869 12.136 229 HA2 GLY 36 HA2 GLY 36 -1.754 33.256 13.879 230 HA3 GLY 36 HA3 GLY 36 -2.260 32.045 15.048 231 H GLN 37 H GLN 37 -0.823 30.928 12.126 232 HA GLN 37 HA GLN 37 1.407 29.848 13.614 233 HB2 GLN 37 HB2 GLN 37 0.706 29.617 10.682 234 HB3 GLN 37 HB3 GLN 37 1.972 28.712 11.501 235 HG2 GLN 37 HG2 GLN 37 -0.763 28.531 12.616 236 HG3 GLN 37 HG3 GLN 37 -0.455 27.727 11.078 237 HE21 GLN 37 HE21 GLN 37 1.978 26.719 11.275 238 HE22 GLN 37 HE22 GLN 37 2.106 25.608 12.592 239 H GLU 38 H GLU 38 3.487 30.499 13.545 240 HA GLU 38 HA GLU 38 4.122 33.107 12.729 241 HB2 GLU 38 HB2 GLU 38 5.312 31.772 14.490 242 HB3 GLU 38 HB3 GLU 38 6.076 30.852 13.201 243 HG2 GLU 38 HG2 GLU 38 7.038 32.971 12.337 244 HG3 GLU 38 HG3 GLU 38 6.379 33.794 13.750 245 H ILE 39 H ILE 39 4.237 33.816 10.710 246 HA ILE 39 HA ILE 39 5.153 31.994 8.599 247 HB ILE 39 HB ILE 39 3.904 34.698 8.167 248 HG12 ILE 39 HG12 ILE 39 2.517 32.023 8.442 249 HG13 ILE 39 HG13 ILE 39 2.351 33.399 9.526 250 HG21 ILE 39 HG21 ILE 39 3.846 32.282 6.382 251 HG22 ILE 39 HG22 ILE 39 3.498 33.960 5.967 252 HG23 ILE 39 HG23 ILE 39 5.152 33.467 6.332 253 HD11 ILE 39 HD11 ILE 39 0.681 34.162 8.304 254 HD12 ILE 39 HD12 ILE 39 1.739 34.264 6.896 255 HD13 ILE 39 HD13 ILE 39 0.845 32.779 7.221 256 H SER 40 H SER 40 7.019 32.304 7.549 257 HA SER 40 HA SER 40 8.485 34.811 8.056 258 HB2 SER 40 HB2 SER 40 9.312 32.520 9.077 259 HB3 SER 40 HB3 SER 40 9.942 32.268 7.450 260 HG SER 40 HG SER 40 10.825 33.936 9.427 261 H ARG 41 H ARG 41 8.430 35.975 6.249 262 HA ARG 41 HA ARG 41 8.844 34.589 3.681 263 HB2 ARG 41 HB2 ARG 41 7.514 37.273 4.036 264 HB3 ARG 41 HB3 ARG 41 7.535 36.263 2.597 265 HG2 ARG 41 HG2 ARG 41 6.087 34.661 3.613 266 HG3 ARG 41 HG3 ARG 41 6.206 35.471 5.176 267 HD2 ARG 41 HD2 ARG 41 4.094 35.918 3.888 268 HD3 ARG 41 HD3 ARG 41 4.989 37.350 4.394 269 HE ARG 41 HE ARG 41 5.792 36.612 1.800 270 HH11 ARG 41 HH11 ARG 41 3.070 37.961 3.501 271 HH12 ARG 41 HH12 ARG 41 2.496 38.860 2.136 272 HH21 ARG 41 HH21 ARG 41 5.046 37.792 -0.004 273 HH22 ARG 41 HH22 ARG 41 3.621 38.763 0.143 274 H CYS 42 H CYS 42 10.714 34.984 2.714 275 HA CYS 42 HA CYS 42 12.694 36.658 3.703 276 HB2 CYS 42 HB2 CYS 42 12.738 34.722 1.904 277 HB3 CYS 42 HB3 CYS 42 12.615 36.065 0.775 278 HG CYS 42 HG CYS 42 15.048 36.014 3.161 279 H SER 43 H SER 43 13.730 38.497 2.506 280 HA SER 43 HA SER 43 12.106 40.715 2.445 281 HB2 SER 43 HB2 SER 43 14.519 40.540 0.657 282 HB3 SER 43 HB3 SER 43 13.936 41.915 1.595 283 HG SER 43 HG SER 43 14.452 40.575 3.488 284 H LYS 44 H LYS 44 12.803 38.446 -0.128 285 HA LYS 44 HA LYS 44 11.970 39.837 -2.360 286 HB2 LYS 44 HB2 LYS 44 11.554 36.917 -1.697 287 HB3 LYS 44 HB3 LYS 44 11.333 37.613 -3.297 288 HG2 LYS 44 HG2 LYS 44 13.917 37.622 -1.751 289 HG3 LYS 44 HG3 LYS 44 13.500 36.486 -3.037 290 HD2 LYS 44 HD2 LYS 44 13.274 38.378 -4.600 291 HD3 LYS 44 HD3 LYS 44 13.754 39.482 -3.309 292 HE2 LYS 44 HE2 LYS 44 15.876 38.112 -3.118 293 HE3 LYS 44 HE3 LYS 44 15.397 37.330 -4.623 294 HZ1 LYS 44 HZ1 LYS 44 16.180 40.135 -4.167 295 HZ2 LYS 44 HZ2 LYS 44 16.758 39.042 -5.323 296 HZ3 LYS 44 HZ3 LYS 44 15.220 39.724 -5.498 297 H CYS 45 H CYS 45 10.063 38.492 0.226 298 HA CYS 45 HA CYS 45 7.560 38.303 -0.916 299 HB2 CYS 45 HB2 CYS 45 6.661 38.438 1.267 300 HB3 CYS 45 HB3 CYS 45 8.262 37.737 1.469 301 HG CYS 45 HG CYS 45 7.123 40.775 2.434 302 H ARG 46 H ARG 46 9.401 41.140 -0.157 303 HA ARG 46 HA ARG 46 7.504 43.107 0.088 304 HB2 ARG 46 HB2 ARG 46 10.146 43.190 -1.374 305 HB3 ARG 46 HB3 ARG 46 9.180 44.618 -1.026 306 HG2 ARG 46 HG2 ARG 46 10.039 42.768 1.165 307 HG3 ARG 46 HG3 ARG 46 11.114 44.026 0.551 308 HD2 ARG 46 HD2 ARG 46 8.312 44.610 1.468 309 HD3 ARG 46 HD3 ARG 46 9.683 44.605 2.577 310 HE ARG 46 HE ARG 46 10.362 46.249 0.446 311 HH11 ARG 46 HH11 ARG 46 7.991 46.150 2.993 312 HH12 ARG 46 HH12 ARG 46 7.839 47.872 3.097 313 HH21 ARG 46 HH21 ARG 46 10.170 48.518 0.572 314 HH22 ARG 46 HH22 ARG 46 9.078 49.219 1.718 315 H LYS 47 H LYS 47 8.552 41.448 -2.824 316 HA LYS 47 HA LYS 47 7.019 43.162 -4.571 317 HB2 LYS 47 HB2 LYS 47 8.759 40.756 -4.930 318 HB3 LYS 47 HB3 LYS 47 7.637 41.194 -6.212 319 HG2 LYS 47 HG2 LYS 47 9.647 43.106 -5.055 320 HG3 LYS 47 HG3 LYS 47 9.964 42.086 -6.460 321 HD2 LYS 47 HD2 LYS 47 8.399 43.200 -7.775 322 HD3 LYS 47 HD3 LYS 47 7.555 43.866 -6.375 323 HE2 LYS 47 HE2 LYS 47 8.705 45.699 -7.218 324 HE3 LYS 47 HE3 LYS 47 9.761 45.125 -5.928 325 HZ1 LYS 47 HZ1 LYS 47 10.241 45.265 -8.751 326 HZ2 LYS 47 HZ2 LYS 47 11.343 45.132 -7.474 327 HZ3 LYS 47 HZ3 LYS 47 10.609 43.745 -8.106 328 H GLN 48 H GLN 48 6.662 40.031 -3.036 329 HA GLN 48 HA GLN 48 4.271 39.366 -4.506 330 HB2 GLN 48 HB2 GLN 48 5.905 38.078 -2.377 331 HB3 GLN 48 HB3 GLN 48 4.223 37.585 -2.525 332 HG2 GLN 48 HG2 GLN 48 5.788 37.668 -5.024 333 HG3 GLN 48 HG3 GLN 48 6.230 36.424 -3.856 334 HE21 GLN 48 HE21 GLN 48 5.501 35.067 -5.700 335 HE22 GLN 48 HE22 GLN 48 3.827 34.646 -5.773 336 H SER 49 H SER 49 4.854 41.572 -2.184 337 HA SER 49 HA SER 49 2.952 41.207 -0.201 338 HB2 SER 49 HB2 SER 49 4.523 42.993 0.027 339 HB3 SER 49 HB3 SER 49 3.997 43.736 -1.483 340 HG SER 49 HG SER 49 2.689 44.836 -0.272 341 H ASN 50 H ASN 50 2.570 42.318 -3.499 342 HA ASN 50 HA ASN 50 0.068 43.482 -3.415 343 HB2 ASN 50 HB2 ASN 50 1.505 43.408 -5.425 344 HB3 ASN 50 HB3 ASN 50 1.152 41.692 -5.601 345 HD21 ASN 50 HD21 ASN 50 -0.257 44.906 -5.626 346 HD22 ASN 50 HD22 ASN 50 -1.614 44.506 -6.618 347 H LEU 51 H LEU 51 0.932 40.080 -3.375 348 HA LEU 51 HA LEU 51 -1.685 39.390 -2.392 349 HB2 LEU 51 HB2 LEU 51 -1.836 39.425 -4.931 350 HB3 LEU 51 HB3 LEU 51 -0.758 38.031 -4.908 351 HG LEU 51 HG LEU 51 -2.576 36.991 -3.359 352 HD11 LEU 51 HD11 LEU 51 -4.584 38.467 -4.876 353 HD12 LEU 51 HD12 LEU 51 -4.569 37.981 -3.181 354 HD13 LEU 51 HD13 LEU 51 -3.732 39.449 -3.685 355 HD21 LEU 51 HD21 LEU 51 -2.394 37.231 -6.287 356 HD22 LEU 51 HD22 LEU 51 -2.425 35.797 -5.262 357 HD23 LEU 51 HD23 LEU 51 -3.929 36.624 -5.666 358 H TYR 52 H TYR 52 -1.464 37.845 -0.913 359 HA TYR 52 HA TYR 52 0.760 35.941 -1.166 360 HB2 TYR 52 HB2 TYR 52 1.421 36.213 1.090 361 HB3 TYR 52 HB3 TYR 52 1.247 37.846 0.457 362 HD1 TYR 52 HD1 TYR 52 -1.258 38.805 0.769 363 HD2 TYR 52 HD2 TYR 52 0.573 35.827 3.194 364 HE1 TYR 52 HE1 TYR 52 -2.804 39.355 2.602 365 HE2 TYR 52 HE2 TYR 52 -0.968 36.368 5.033 366 HH TYR 52 HH TYR 52 -2.889 37.459 5.565 367 H GLU 53 H GLU 53 0.479 34.150 0.572 368 HA GLU 53 HA GLU 53 -2.242 33.553 1.307 369 HB2 GLU 53 HB2 GLU 53 -2.335 32.842 -0.997 370 HB3 GLU 53 HB3 GLU 53 -0.839 31.935 -0.823 371 HG2 GLU 53 HG2 GLU 53 -2.004 30.494 0.852 372 HG3 GLU 53 HG3 GLU 53 -3.501 31.323 0.430 373 H CYS 54 H CYS 54 -2.189 32.527 3.191 374 HA CYS 54 HA CYS 54 0.236 31.694 4.381 375 HB2 CYS 54 HB2 CYS 54 -1.725 32.521 5.657 376 HB3 CYS 54 HB3 CYS 54 -2.592 31.049 5.237 377 HG CYS 54 HG CYS 54 0.359 30.475 6.695 378 HA PRO 55 HA PRO 55 0.338 27.685 2.384 379 HB2 PRO 55 HB2 PRO 55 2.761 26.979 3.385 380 HB3 PRO 55 HB3 PRO 55 2.572 28.080 2.015 381 HG2 PRO 55 HG2 PRO 55 3.071 28.712 4.898 382 HG3 PRO 55 HG3 PRO 55 3.805 29.430 3.452 383 HD2 PRO 55 HD2 PRO 55 1.805 30.636 4.822 384 HD3 PRO 55 HD3 PRO 55 1.998 30.808 3.065 385 H ASP 56 H ASP 56 0.245 28.493 5.696 386 HA ASP 56 HA ASP 56 0.398 25.796 6.703 387 HB2 ASP 56 HB2 ASP 56 0.855 28.179 7.866 388 HB3 ASP 56 HB3 ASP 56 -0.817 27.934 8.364 389 H CYS 57 H CYS 57 -2.196 28.245 6.585 390 HA CYS 57 HA CYS 57 -4.154 26.057 6.743 391 HB2 CYS 57 HB2 CYS 57 -5.766 27.800 7.442 392 HB3 CYS 57 HB3 CYS 57 -4.381 27.699 8.522 393 HG CYS 57 HG CYS 57 -4.050 29.953 6.063 394 H GLY 58 H GLY 58 -2.659 27.159 4.340 395 HA2 GLY 58 HA2 GLY 58 -3.099 27.818 2.171 396 HA3 GLY 58 HA3 GLY 58 -4.472 26.738 2.357 397 H PHE 59 H PHE 59 -3.890 29.815 4.002 398 HA PHE 59 HA PHE 59 -6.500 30.740 3.103 399 HB2 PHE 59 HB2 PHE 59 -6.076 31.032 5.445 400 HB3 PHE 59 HB3 PHE 59 -4.535 31.819 5.126 401 HD1 PHE 59 HD1 PHE 59 -8.014 32.311 3.865 402 HD2 PHE 59 HD2 PHE 59 -4.588 34.029 5.716 403 HE1 PHE 59 HE1 PHE 59 -9.133 34.502 3.894 404 HE2 PHE 59 HE2 PHE 59 -5.702 36.223 5.749 405 HZ PHE 59 HZ PHE 59 -7.977 36.462 4.836 406 H MET 60 H MET 60 -6.563 31.697 1.177 407 HA MET 60 HA MET 60 -4.276 33.144 0.147 408 HB2 MET 60 HB2 MET 60 -7.016 32.746 -1.068 409 HB3 MET 60 HB3 MET 60 -5.595 33.370 -1.896 410 HG2 MET 60 HG2 MET 60 -4.697 31.331 -2.185 411 HG3 MET 60 HG3 MET 60 -5.268 30.740 -0.626 412 HE1 MET 60 HE1 MET 60 -8.324 29.331 -0.780 413 HE2 MET 60 HE2 MET 60 -7.195 28.189 -1.509 414 HE3 MET 60 HE3 MET 60 -6.642 29.292 -0.249 415 H GLY 61 H GLY 61 -3.952 35.252 0.401 416 HA2 GLY 61 HA2 GLY 61 -6.291 37.000 0.791 417 HA3 GLY 61 HA3 GLY 61 -4.932 37.091 1.901 418 HA PRO 62 HA PRO 62 -4.385 40.033 -1.738 419 HB2 PRO 62 HB2 PRO 62 -4.405 42.328 -0.288 420 HB3 PRO 62 HB3 PRO 62 -5.870 41.604 -0.961 421 HG2 PRO 62 HG2 PRO 62 -4.786 41.443 1.825 422 HG3 PRO 62 HG3 PRO 62 -6.457 41.691 1.288 423 HD2 PRO 62 HD2 PRO 62 -5.537 39.286 2.124 424 HD3 PRO 62 HD3 PRO 62 -6.791 39.448 0.878 Start of MODEL 7 1 H1 GLY 1 H GLY 1 11.036 7.917 -8.088 2 HA2 GLY 1 HA2 GLY 1 10.711 7.538 -5.175 3 HA3 GLY 1 HA3 GLY 1 11.925 8.582 -5.899 4 H ALA 2 H ALA 2 8.418 8.149 -5.586 5 HA ALA 2 HA ALA 2 7.616 10.638 -6.547 6 HB1 ALA 2 HB1 ALA 2 5.827 9.254 -6.270 7 HB2 ALA 2 HB2 ALA 2 6.420 8.608 -4.740 8 HB3 ALA 2 HB3 ALA 2 5.680 10.207 -4.794 9 H MET 3 H MET 3 6.483 12.305 -5.066 10 HA MET 3 HA MET 3 8.514 13.417 -3.367 11 HB2 MET 3 HB2 MET 3 7.119 15.350 -3.229 12 HB3 MET 3 HB3 MET 3 7.034 14.765 -4.885 13 HG2 MET 3 HG2 MET 3 4.926 13.484 -3.941 14 HG3 MET 3 HG3 MET 3 4.956 14.802 -2.773 15 HE1 MET 3 HE1 MET 3 5.915 17.064 -3.832 16 HE2 MET 3 HE2 MET 3 5.216 17.806 -5.271 17 HE3 MET 3 HE3 MET 3 4.250 17.645 -3.805 18 H GLY 4 H GLY 4 8.399 13.817 -1.152 19 HA2 GLY 4 HA2 GLY 4 6.586 12.007 0.286 20 HA3 GLY 4 HA3 GLY 4 8.087 12.669 0.915 21 H SER 5 H SER 5 4.744 13.430 0.106 22 HA SER 5 HA SER 5 4.878 15.994 1.448 23 HB2 SER 5 HB2 SER 5 2.377 14.625 0.462 24 HB3 SER 5 HB3 SER 5 2.657 16.351 0.690 25 HG SER 5 HG SER 5 2.775 15.488 -1.537 26 H GLU 6 H GLU 6 2.870 13.070 1.859 27 HA GLU 6 HA GLU 6 2.292 13.846 4.601 28 HB2 GLU 6 HB2 GLU 6 0.403 13.024 3.434 29 HB3 GLU 6 HB3 GLU 6 1.292 11.642 2.809 30 HG2 GLU 6 HG2 GLU 6 -0.248 10.963 4.547 31 HG3 GLU 6 HG3 GLU 6 1.419 10.699 5.053 32 H SER 7 H SER 7 4.000 11.314 2.838 33 HA SER 7 HA SER 7 4.592 9.610 4.963 34 HB2 SER 7 HB2 SER 7 5.046 9.405 2.377 35 HB3 SER 7 HB3 SER 7 6.620 10.072 2.807 36 HG SER 7 HG SER 7 5.993 7.596 2.919 37 H GLU 8 H GLU 8 6.454 12.360 3.694 38 HA GLU 8 HA GLU 8 8.278 12.181 5.968 39 HB2 GLU 8 HB2 GLU 8 8.318 13.700 3.375 40 HB3 GLU 8 HB3 GLU 8 9.387 14.148 4.697 41 HG2 GLU 8 HG2 GLU 8 10.293 11.853 4.696 42 HG3 GLU 8 HG3 GLU 8 9.281 11.485 3.301 43 H GLN 9 H GLN 9 8.869 14.211 7.098 44 HA GLN 9 HA GLN 9 6.490 15.538 8.009 45 HB2 GLN 9 HB2 GLN 9 9.378 16.039 8.747 46 HB3 GLN 9 HB3 GLN 9 7.971 16.649 9.608 47 HG2 GLN 9 HG2 GLN 9 8.453 14.861 10.911 48 HG3 GLN 9 HG3 GLN 9 7.383 14.081 9.746 49 HE21 GLN 9 HE21 GLN 9 8.797 12.321 10.890 50 HE22 GLN 9 HE22 GLN 9 10.180 11.819 9.985 51 H ARG 10 H ARG 10 7.133 18.076 8.559 52 HA ARG 10 HA ARG 10 7.883 19.304 5.995 53 HB2 ARG 10 HB2 ARG 10 6.055 21.018 6.484 54 HB3 ARG 10 HB3 ARG 10 5.534 19.434 5.925 55 HG2 ARG 10 HG2 ARG 10 5.710 19.867 8.852 56 HG3 ARG 10 HG3 ARG 10 4.396 20.656 7.977 57 HD2 ARG 10 HD2 ARG 10 3.387 18.682 7.437 58 HD3 ARG 10 HD3 ARG 10 4.906 17.789 7.409 59 HE ARG 10 HE ARG 10 4.235 18.634 10.042 60 HH11 ARG 10 HH11 ARG 10 3.513 16.251 7.609 61 HH12 ARG 10 HH12 ARG 10 3.001 15.051 8.749 62 HH21 ARG 10 HH21 ARG 10 3.563 17.063 11.554 63 HH22 ARG 10 HH22 ARG 10 3.029 15.515 10.993 64 H HIS 11 H HIS 11 9.915 19.466 7.311 65 HA HIS 11 HA HIS 11 9.818 21.793 9.116 66 HB2 HIS 11 HB2 HIS 11 11.981 19.686 8.996 67 HB3 HIS 11 HB3 HIS 11 11.795 20.952 10.205 68 HD1 HIS 11 HD1 HIS 11 11.713 17.657 10.447 69 HD2 HIS 11 HD2 HIS 11 8.626 20.394 10.939 70 HE1 HIS 11 HE1 HIS 11 10.007 16.496 11.885 71 H ALA 12 H ALA 12 9.996 23.348 7.490 72 HA ALA 12 HA ALA 12 12.613 24.082 6.760 73 HB1 ALA 12 HB1 ALA 12 11.387 22.222 4.983 74 HB2 ALA 12 HB2 ALA 12 11.544 23.775 4.162 75 HB3 ALA 12 HB3 ALA 12 12.966 22.998 4.858 76 H HIS 13 H HIS 13 12.304 26.179 7.165 77 HA HIS 13 HA HIS 13 9.851 27.507 6.366 78 HB2 HIS 13 HB2 HIS 13 12.128 28.121 8.157 79 HB3 HIS 13 HB3 HIS 13 11.367 29.503 7.375 80 HD1 HIS 13 HD1 HIS 13 10.751 30.031 9.979 81 HD2 HIS 13 HD2 HIS 13 8.753 26.870 8.168 82 HE1 HIS 13 HE1 HIS 13 8.733 29.600 11.416 83 H GLN 14 H GLN 14 9.704 28.042 4.280 84 HA GLN 14 HA GLN 14 12.004 29.408 3.046 85 HB2 GLN 14 HB2 GLN 14 10.261 27.234 2.019 86 HB3 GLN 14 HB3 GLN 14 10.730 28.485 0.875 87 HG2 GLN 14 HG2 GLN 14 12.903 27.852 0.854 88 HG3 GLN 14 HG3 GLN 14 12.878 27.311 2.532 89 HE21 GLN 14 HE21 GLN 14 14.033 25.452 1.766 90 HE22 GLN 14 HE22 GLN 14 13.174 24.140 1.042 91 H CYS 15 H CYS 15 11.315 30.790 1.140 92 HA CYS 15 HA CYS 15 9.397 32.680 2.044 93 HB2 CYS 15 HB2 CYS 15 11.460 33.157 0.641 94 HB3 CYS 15 HB3 CYS 15 10.566 32.521 -0.735 95 HG CYS 15 HG CYS 15 10.730 35.490 -0.307 96 H VAL 16 H VAL 16 7.351 33.133 1.327 97 HA VAL 16 HA VAL 16 5.858 30.962 0.226 98 HB VAL 16 HB VAL 16 3.917 32.387 0.425 99 HG11 VAL 16 HG11 VAL 16 5.866 32.539 2.707 100 HG12 VAL 16 HG12 VAL 16 4.206 33.119 2.844 101 HG13 VAL 16 HG13 VAL 16 4.520 31.421 2.484 102 HG21 VAL 16 HG21 VAL 16 4.169 34.746 1.188 103 HG22 VAL 16 HG22 VAL 16 5.902 34.608 0.890 104 HG23 VAL 16 HG23 VAL 16 4.763 34.455 -0.447 105 H SER 17 H SER 17 7.324 33.837 -1.058 106 HA SER 17 HA SER 17 5.831 33.835 -3.514 107 HB2 SER 17 HB2 SER 17 7.155 35.785 -2.287 108 HB3 SER 17 HB3 SER 17 8.475 35.206 -3.302 109 HG SER 17 HG SER 17 7.079 35.498 -5.110 110 H CYS 18 H CYS 18 9.292 33.293 -2.824 111 HA CYS 18 HA CYS 18 9.402 31.573 -5.208 112 HB2 CYS 18 HB2 CYS 18 10.896 33.472 -5.371 113 HB3 CYS 18 HB3 CYS 18 11.589 33.109 -3.795 114 HG CYS 18 HG CYS 18 13.588 32.293 -5.357 115 H GLY 19 H GLY 19 11.482 31.799 -2.333 116 HA2 GLY 19 HA2 GLY 19 10.831 29.711 -0.807 117 HA3 GLY 19 HA3 GLY 19 11.547 28.893 -2.188 118 H ILE 20 H ILE 20 12.551 31.977 -0.791 119 HA ILE 20 HA ILE 20 15.275 31.384 -0.830 120 HB ILE 20 HB ILE 20 13.826 33.340 0.958 121 HG12 ILE 20 HG12 ILE 20 15.074 34.798 -0.983 122 HG13 ILE 20 HG13 ILE 20 14.621 33.353 -1.880 123 HG21 ILE 20 HG21 ILE 20 16.034 34.493 1.035 124 HG22 ILE 20 HG22 ILE 20 16.010 32.930 1.851 125 HG23 ILE 20 HG23 ILE 20 16.744 33.080 0.255 126 HD11 ILE 20 HD11 ILE 20 12.555 34.623 -0.180 127 HD12 ILE 20 HD12 ILE 20 13.020 35.439 -1.673 128 HD13 ILE 20 HD13 ILE 20 12.400 33.789 -1.726 129 H ASN 21 H ASN 21 16.729 30.664 0.693 130 HA ASN 21 HA ASN 21 15.683 28.884 2.688 131 HB2 ASN 21 HB2 ASN 21 18.142 28.507 3.185 132 HB3 ASN 21 HB3 ASN 21 17.632 28.140 1.540 133 HD21 ASN 21 HD21 ASN 21 19.951 28.341 1.135 134 HD22 ASN 21 HD22 ASN 21 20.601 29.909 0.811 135 H ILE 22 H ILE 22 14.626 31.026 3.596 136 HA ILE 22 HA ILE 22 16.424 32.345 5.490 137 HB ILE 22 HB ILE 22 14.475 33.826 5.957 138 HG12 ILE 22 HG12 ILE 22 13.201 32.430 3.597 139 HG13 ILE 22 HG13 ILE 22 12.752 32.130 5.272 140 HG21 ILE 22 HG21 ILE 22 16.196 33.800 3.777 141 HG22 ILE 22 HG22 ILE 22 14.613 34.164 3.091 142 HG23 ILE 22 HG23 ILE 22 15.270 35.175 4.378 143 HD11 ILE 22 HD11 ILE 22 11.456 33.927 5.334 144 HD12 ILE 22 HD12 ILE 22 12.706 34.949 4.624 145 HD13 ILE 22 HD13 ILE 22 11.644 34.001 3.582 146 H ALA 23 H ALA 23 15.766 29.597 5.923 147 HA ALA 23 HA ALA 23 13.695 29.321 7.846 148 HB1 ALA 23 HB1 ALA 23 14.716 27.474 6.466 149 HB2 ALA 23 HB2 ALA 23 16.093 27.525 7.567 150 HB3 ALA 23 HB3 ALA 23 14.490 27.114 8.178 151 H GLY 24 H GLY 24 13.686 30.216 9.798 152 HA2 GLY 24 HA2 GLY 24 14.374 30.820 11.907 153 HA3 GLY 24 HA3 GLY 24 15.774 29.784 11.672 154 H MET 25 H MET 25 15.289 32.208 9.301 155 HA MET 25 HA MET 25 17.519 33.742 10.453 156 HB2 MET 25 HB2 MET 25 16.569 33.604 7.586 157 HB3 MET 25 HB3 MET 25 17.954 34.520 8.164 158 HG2 MET 25 HG2 MET 25 17.721 31.540 8.456 159 HG3 MET 25 HG3 MET 25 18.460 32.321 7.060 160 HE1 MET 25 HE1 MET 25 21.901 33.138 8.048 161 HE2 MET 25 HE2 MET 25 20.711 32.723 6.815 162 HE3 MET 25 HE3 MET 25 20.634 34.289 7.623 163 H SER 26 H SER 26 17.383 36.088 9.172 164 HA SER 26 HA SER 26 15.167 37.376 10.476 165 HB2 SER 26 HB2 SER 26 17.040 38.715 10.625 166 HB3 SER 26 HB3 SER 26 17.611 38.279 9.015 167 HG SER 26 HG SER 26 16.412 39.812 8.157 168 H ALA 27 H ALA 27 13.230 37.645 9.612 169 HA ALA 27 HA ALA 27 12.746 38.724 7.073 170 HB1 ALA 27 HB1 ALA 27 13.424 36.697 6.072 171 HB2 ALA 27 HB2 ALA 27 12.526 35.729 7.241 172 HB3 ALA 27 HB3 ALA 27 11.660 36.684 6.037 173 H ALA 28 H ALA 28 10.386 38.610 6.481 174 HA ALA 28 HA ALA 28 8.794 39.383 8.630 175 HB1 ALA 28 HB1 ALA 28 6.955 38.607 6.766 176 HB2 ALA 28 HB2 ALA 28 7.778 40.167 6.797 177 HB3 ALA 28 HB3 ALA 28 8.395 38.864 5.781 178 H THR 29 H THR 29 8.475 38.043 10.315 179 HA THR 29 HA THR 29 7.516 35.315 9.758 180 HB THR 29 HB THR 29 8.196 35.844 12.540 181 HG1 THR 29 HG1 THR 29 10.476 35.975 12.118 182 HG21 THR 29 HG21 THR 29 9.832 33.868 11.769 183 HG22 THR 29 HG22 THR 29 8.125 33.609 12.127 184 HG23 THR 29 HG23 THR 29 8.658 33.791 10.456 185 H PHE 30 H PHE 30 5.417 34.982 10.021 186 HA PHE 30 HA PHE 30 4.013 36.279 12.227 187 HB2 PHE 30 HB2 PHE 30 2.123 36.903 10.749 188 HB3 PHE 30 HB3 PHE 30 3.602 37.774 10.358 189 HD1 PHE 30 HD1 PHE 30 4.984 36.976 8.400 190 HD2 PHE 30 HD2 PHE 30 1.017 35.622 9.140 191 HE1 PHE 30 HE1 PHE 30 4.806 36.229 6.063 192 HE2 PHE 30 HE2 PHE 30 0.833 34.872 6.804 193 HZ PHE 30 HZ PHE 30 2.729 35.176 5.262 194 H LYS 31 H LYS 31 1.619 35.412 12.200 195 HA LYS 31 HA LYS 31 1.775 32.504 11.746 196 HB2 LYS 31 HB2 LYS 31 1.689 32.921 14.098 197 HB3 LYS 31 HB3 LYS 31 0.383 34.084 13.908 198 HG2 LYS 31 HG2 LYS 31 -1.103 32.264 13.180 199 HG3 LYS 31 HG3 LYS 31 0.208 31.113 13.450 200 HD2 LYS 31 HD2 LYS 31 -0.973 30.955 15.428 201 HD3 LYS 31 HD3 LYS 31 0.258 32.150 15.840 202 HE2 LYS 31 HE2 LYS 31 -2.373 33.045 14.744 203 HE3 LYS 31 HE3 LYS 31 -2.249 32.578 16.439 204 HZ1 LYS 31 HZ1 LYS 31 -1.529 34.627 16.818 205 HZ2 LYS 31 HZ2 LYS 31 -0.108 34.237 15.987 206 HZ3 LYS 31 HZ3 LYS 31 -1.392 34.974 15.168 207 H CYS 32 H CYS 32 0.391 31.676 10.330 208 HA CYS 32 HA CYS 32 -1.480 33.267 8.938 209 HB2 CYS 32 HB2 CYS 32 -0.308 31.194 8.076 210 HB3 CYS 32 HB3 CYS 32 -1.443 30.250 9.033 211 HG CYS 32 HG CYS 32 -3.115 30.063 7.105 212 HA PRO 33 HA PRO 33 -4.823 33.071 11.854 213 HB2 PRO 33 HB2 PRO 33 -6.662 34.307 10.285 214 HB3 PRO 33 HB3 PRO 33 -5.372 35.178 11.122 215 HG2 PRO 33 HG2 PRO 33 -5.516 34.292 8.266 216 HG3 PRO 33 HG3 PRO 33 -4.950 35.835 8.932 217 HD2 PRO 33 HD2 PRO 33 -3.252 33.874 8.155 218 HD3 PRO 33 HD3 PRO 33 -2.885 34.980 9.494 219 H ASP 34 H ASP 34 -4.551 31.443 8.908 220 HA ASP 34 HA ASP 34 -7.203 30.255 8.997 221 HB2 ASP 34 HB2 ASP 34 -5.833 30.871 6.868 222 HB3 ASP 34 HB3 ASP 34 -5.000 29.349 7.169 223 H CYS 35 H CYS 35 -3.832 29.106 9.151 224 HA CYS 35 HA CYS 35 -4.808 26.734 10.600 225 HB2 CYS 35 HB2 CYS 35 -2.597 25.709 9.839 226 HB3 CYS 35 HB3 CYS 35 -3.818 25.965 8.597 227 HG CYS 35 HG CYS 35 -1.395 26.570 7.432 228 H GLY 36 H GLY 36 -2.160 29.090 10.399 229 HA2 GLY 36 HA2 GLY 36 -1.370 30.172 12.406 230 HA3 GLY 36 HA3 GLY 36 -1.733 28.696 13.288 231 H GLN 37 H GLN 37 -0.222 28.364 10.215 232 HA GLN 37 HA GLN 37 2.128 27.243 11.468 233 HB2 GLN 37 HB2 GLN 37 1.470 27.566 8.535 234 HB3 GLN 37 HB3 GLN 37 2.774 26.593 9.202 235 HG2 GLN 37 HG2 GLN 37 0.060 25.993 10.187 236 HG3 GLN 37 HG3 GLN 37 0.392 25.599 8.502 237 HE21 GLN 37 HE21 GLN 37 -0.073 23.424 9.497 238 HE22 GLN 37 HE22 GLN 37 1.282 22.542 10.105 239 H GLU 38 H GLU 38 3.929 28.324 11.890 240 HA GLU 38 HA GLU 38 4.311 31.024 11.489 241 HB2 GLU 38 HB2 GLU 38 5.622 29.347 12.963 242 HB3 GLU 38 HB3 GLU 38 6.636 29.121 11.545 243 HG2 GLU 38 HG2 GLU 38 7.264 31.430 11.548 244 HG3 GLU 38 HG3 GLU 38 6.112 31.788 12.833 245 H ILE 39 H ILE 39 4.388 32.109 9.643 246 HA ILE 39 HA ILE 39 5.562 30.840 7.275 247 HB ILE 39 HB ILE 39 4.047 33.441 7.322 248 HG12 ILE 39 HG12 ILE 39 2.960 30.637 6.995 249 HG13 ILE 39 HG13 ILE 39 2.596 31.755 8.305 250 HG21 ILE 39 HG21 ILE 39 5.484 32.734 5.346 251 HG22 ILE 39 HG22 ILE 39 4.299 31.454 5.084 252 HG23 ILE 39 HG23 ILE 39 3.803 33.145 5.003 253 HD11 ILE 39 HD11 ILE 39 0.876 32.506 7.147 254 HD12 ILE 39 HD12 ILE 39 1.979 33.074 5.893 255 HD13 ILE 39 HD13 ILE 39 1.297 31.450 5.798 256 H SER 40 H SER 40 7.393 31.549 6.354 257 HA SER 40 HA SER 40 8.589 34.028 7.411 258 HB2 SER 40 HB2 SER 40 10.775 33.013 7.293 259 HB3 SER 40 HB3 SER 40 9.721 31.933 8.206 260 HG SER 40 HG SER 40 10.761 31.644 5.615 261 H ARG 41 H ARG 41 8.442 35.508 5.856 262 HA ARG 41 HA ARG 41 9.077 34.697 3.095 263 HB2 ARG 41 HB2 ARG 41 7.457 37.120 3.863 264 HB3 ARG 41 HB3 ARG 41 7.601 36.369 2.279 265 HG2 ARG 41 HG2 ARG 41 6.333 34.463 3.007 266 HG3 ARG 41 HG3 ARG 41 6.302 35.072 4.664 267 HD2 ARG 41 HD2 ARG 41 4.969 36.262 2.239 268 HD3 ARG 41 HD3 ARG 41 4.191 35.563 3.658 269 HE ARG 41 HE ARG 41 5.651 37.588 4.693 270 HH11 ARG 41 HH11 ARG 41 3.343 37.391 2.094 271 HH12 ARG 41 HH12 ARG 41 2.783 39.018 2.294 272 HH21 ARG 41 HH21 ARG 41 4.922 39.732 4.966 273 HH22 ARG 41 HH22 ARG 41 3.683 40.349 3.927 274 H CYS 42 H CYS 42 10.897 35.488 2.285 275 HA CYS 42 HA CYS 42 12.665 37.120 3.668 276 HB2 CYS 42 HB2 CYS 42 12.952 35.616 1.516 277 HB3 CYS 42 HB3 CYS 42 12.688 37.140 0.678 278 HG CYS 42 HG CYS 42 14.885 38.427 1.706 279 H SER 43 H SER 43 13.504 39.269 2.922 280 HA SER 43 HA SER 43 11.647 41.265 3.256 281 HB2 SER 43 HB2 SER 43 14.062 41.763 1.543 282 HB3 SER 43 HB3 SER 43 13.348 42.792 2.784 283 HG SER 43 HG SER 43 15.191 40.767 3.018 284 H LYS 44 H LYS 44 12.622 39.668 0.299 285 HA LYS 44 HA LYS 44 11.674 41.395 -1.630 286 HB2 LYS 44 HB2 LYS 44 11.679 38.381 -1.538 287 HB3 LYS 44 HB3 LYS 44 11.200 39.284 -2.969 288 HG2 LYS 44 HG2 LYS 44 13.857 39.723 -1.652 289 HG3 LYS 44 HG3 LYS 44 13.603 38.439 -2.837 290 HD2 LYS 44 HD2 LYS 44 13.103 39.975 -4.549 291 HD3 LYS 44 HD3 LYS 44 12.872 41.299 -3.404 292 HE2 LYS 44 HE2 LYS 44 15.001 41.468 -4.636 293 HE3 LYS 44 HE3 LYS 44 15.234 41.321 -2.895 294 HZ1 LYS 44 HZ1 LYS 44 15.997 39.162 -3.095 295 HZ2 LYS 44 HZ2 LYS 44 15.306 38.933 -4.622 296 HZ3 LYS 44 HZ3 LYS 44 16.677 39.909 -4.452 297 H CYS 45 H CYS 45 9.884 39.317 0.530 298 HA CYS 45 HA CYS 45 7.427 39.178 -0.734 299 HB2 CYS 45 HB2 CYS 45 6.501 38.624 1.358 300 HB3 CYS 45 HB3 CYS 45 8.176 38.098 1.468 301 HG CYS 45 HG CYS 45 8.929 40.513 2.848 302 H ARG 46 H ARG 46 8.983 41.889 0.732 303 HA ARG 46 HA ARG 46 6.917 43.547 1.448 304 HB2 ARG 46 HB2 ARG 46 9.569 44.141 0.154 305 HB3 ARG 46 HB3 ARG 46 8.457 45.427 0.602 306 HG2 ARG 46 HG2 ARG 46 9.614 43.384 2.488 307 HG3 ARG 46 HG3 ARG 46 10.167 45.050 2.307 308 HD2 ARG 46 HD2 ARG 46 7.471 45.351 2.720 309 HD3 ARG 46 HD3 ARG 46 7.867 43.977 3.752 310 HE ARG 46 HE ARG 46 8.911 45.426 5.165 311 HH11 ARG 46 HH11 ARG 46 8.725 46.898 2.015 312 HH12 ARG 46 HH12 ARG 46 9.391 48.409 2.539 313 HH21 ARG 46 HH21 ARG 46 9.789 47.411 5.866 314 HH22 ARG 46 HH22 ARG 46 9.996 48.700 4.729 315 H LYS 47 H LYS 47 8.066 42.776 -1.782 316 HA LYS 47 HA LYS 47 6.331 44.705 -3.052 317 HB2 LYS 47 HB2 LYS 47 7.280 44.005 -5.097 318 HB3 LYS 47 HB3 LYS 47 8.597 43.940 -3.933 319 HG2 LYS 47 HG2 LYS 47 7.760 41.429 -3.710 320 HG3 LYS 47 HG3 LYS 47 7.206 41.748 -5.356 321 HD2 LYS 47 HD2 LYS 47 10.019 42.254 -4.393 322 HD3 LYS 47 HD3 LYS 47 9.505 40.774 -5.205 323 HE2 LYS 47 HE2 LYS 47 9.280 41.800 -7.230 324 HE3 LYS 47 HE3 LYS 47 8.871 43.360 -6.517 325 HZ1 LYS 47 HZ1 LYS 47 10.962 43.987 -6.778 326 HZ2 LYS 47 HZ2 LYS 47 11.500 42.719 -5.796 327 HZ3 LYS 47 HZ3 LYS 47 11.353 42.492 -7.466 328 H GLN 48 H GLN 48 6.307 41.283 -2.317 329 HA GLN 48 HA GLN 48 3.978 40.751 -3.936 330 HB2 GLN 48 HB2 GLN 48 5.355 39.037 -1.860 331 HB3 GLN 48 HB3 GLN 48 4.092 38.494 -2.958 332 HG2 GLN 48 HG2 GLN 48 6.531 39.716 -4.126 333 HG3 GLN 48 HG3 GLN 48 6.647 38.089 -3.458 334 HE21 GLN 48 HE21 GLN 48 6.790 39.139 -6.238 335 HE22 GLN 48 HE22 GLN 48 5.626 38.220 -7.123 336 H SER 49 H SER 49 4.369 42.381 -1.145 337 HA SER 49 HA SER 49 2.534 41.358 0.667 338 HB2 SER 49 HB2 SER 49 3.069 44.283 0.096 339 HB3 SER 49 HB3 SER 49 2.387 43.619 1.580 340 HG SER 49 HG SER 49 4.337 43.238 2.232 341 H ASN 50 H ASN 50 2.013 43.219 -2.256 342 HA ASN 50 HA ASN 50 -0.591 44.071 -1.919 343 HB2 ASN 50 HB2 ASN 50 0.514 42.969 -4.508 344 HB3 ASN 50 HB3 ASN 50 -0.750 44.181 -4.314 345 HD21 ASN 50 HD21 ASN 50 0.094 46.044 -2.779 346 HD22 ASN 50 HD22 ASN 50 1.602 46.722 -3.278 347 H LEU 51 H LEU 51 0.608 40.873 -2.729 348 HA LEU 51 HA LEU 51 -1.935 39.710 -2.015 349 HB2 LEU 51 HB2 LEU 51 -1.994 40.353 -4.502 350 HB3 LEU 51 HB3 LEU 51 -0.852 39.030 -4.728 351 HG LEU 51 HG LEU 51 -2.616 37.552 -3.613 352 HD11 LEU 51 HD11 LEU 51 -3.897 40.040 -3.334 353 HD12 LEU 51 HD12 LEU 51 -4.821 39.126 -4.526 354 HD13 LEU 51 HD13 LEU 51 -4.525 38.443 -2.927 355 HD21 LEU 51 HD21 LEU 51 -2.439 37.034 -5.811 356 HD22 LEU 51 HD22 LEU 51 -4.040 37.773 -5.865 357 HD23 LEU 51 HD23 LEU 51 -2.621 38.708 -6.335 358 H TYR 52 H TYR 52 -1.514 37.960 -0.853 359 HA TYR 52 HA TYR 52 0.863 36.357 -1.509 360 HB2 TYR 52 HB2 TYR 52 1.514 36.185 0.758 361 HB3 TYR 52 HB3 TYR 52 1.179 37.894 0.503 362 HD1 TYR 52 HD1 TYR 52 -1.379 38.543 1.009 363 HD2 TYR 52 HD2 TYR 52 0.703 35.236 2.693 364 HE1 TYR 52 HE1 TYR 52 -2.955 38.520 2.897 365 HE2 TYR 52 HE2 TYR 52 -0.869 35.203 4.585 366 HH TYR 52 HH TYR 52 -3.691 37.308 4.667 367 H GLU 53 H GLU 53 0.765 34.205 -0.223 368 HA GLU 53 HA GLU 53 -1.881 33.210 0.333 369 HB2 GLU 53 HB2 GLU 53 -2.001 32.984 -2.037 370 HB3 GLU 53 HB3 GLU 53 -0.373 32.328 -2.124 371 HG2 GLU 53 HG2 GLU 53 -2.212 30.784 -0.451 372 HG3 GLU 53 HG3 GLU 53 -2.652 30.857 -2.156 373 H CYS 54 H CYS 54 -1.718 31.788 1.932 374 HA CYS 54 HA CYS 54 0.781 30.947 2.945 375 HB2 CYS 54 HB2 CYS 54 -1.248 31.253 4.338 376 HB3 CYS 54 HB3 CYS 54 -1.965 29.842 3.570 377 HG CYS 54 HG CYS 54 0.998 29.072 4.796 378 HA PRO 55 HA PRO 55 1.291 27.540 0.081 379 HB2 PRO 55 HB2 PRO 55 3.778 26.873 0.940 380 HB3 PRO 55 HB3 PRO 55 3.469 28.235 -0.143 381 HG2 PRO 55 HG2 PRO 55 3.912 28.233 2.817 382 HG3 PRO 55 HG3 PRO 55 4.562 29.336 1.590 383 HD2 PRO 55 HD2 PRO 55 2.453 29.983 3.160 384 HD3 PRO 55 HD3 PRO 55 2.620 30.574 1.495 385 H ASP 56 H ASP 56 1.119 27.548 3.485 386 HA ASP 56 HA ASP 56 1.563 24.724 3.852 387 HB2 ASP 56 HB2 ASP 56 1.692 26.861 5.533 388 HB3 ASP 56 HB3 ASP 56 0.112 26.205 5.952 389 H CYS 57 H CYS 57 -1.280 26.852 4.202 390 HA CYS 57 HA CYS 57 -2.991 24.490 3.829 391 HB2 CYS 57 HB2 CYS 57 -4.784 25.857 4.846 392 HB3 CYS 57 HB3 CYS 57 -3.400 25.668 5.916 393 HG CYS 57 HG CYS 57 -4.886 28.375 5.310 394 H GLY 58 H GLY 58 -1.612 26.274 1.777 395 HA2 GLY 58 HA2 GLY 58 -2.114 27.342 -0.206 396 HA3 GLY 58 HA3 GLY 58 -3.353 26.100 -0.307 397 H PHE 59 H PHE 59 -3.138 28.783 1.990 398 HA PHE 59 HA PHE 59 -5.830 29.592 1.220 399 HB2 PHE 59 HB2 PHE 59 -5.496 29.369 3.582 400 HB3 PHE 59 HB3 PHE 59 -4.045 30.365 3.530 401 HD1 PHE 59 HD1 PHE 59 -7.554 30.746 2.311 402 HD2 PHE 59 HD2 PHE 59 -4.332 32.388 4.554 403 HE1 PHE 59 HE1 PHE 59 -8.912 32.740 2.794 404 HE2 PHE 59 HE2 PHE 59 -5.684 34.385 5.041 405 HZ PHE 59 HZ PHE 59 -7.977 34.563 4.162 406 H MET 60 H MET 60 -6.017 31.013 -0.376 407 HA MET 60 HA MET 60 -3.875 32.860 -0.994 408 HB2 MET 60 HB2 MET 60 -6.589 32.572 -2.294 409 HB3 MET 60 HB3 MET 60 -5.214 33.462 -2.934 410 HG2 MET 60 HG2 MET 60 -4.034 31.525 -3.438 411 HG3 MET 60 HG3 MET 60 -5.016 30.535 -2.360 412 HE1 MET 60 HE1 MET 60 -5.543 28.646 -3.908 413 HE2 MET 60 HE2 MET 60 -7.047 29.155 -3.139 414 HE3 MET 60 HE3 MET 60 -7.028 28.745 -4.854 415 H GLY 61 H GLY 61 -3.764 34.928 -0.385 416 HA2 GLY 61 HA2 GLY 61 -6.224 36.293 0.467 417 HA3 GLY 61 HA3 GLY 61 -4.860 36.232 1.574 418 HA PRO 62 HA PRO 62 -4.627 39.993 -1.259 419 HB2 PRO 62 HB2 PRO 62 -4.854 41.870 0.689 420 HB3 PRO 62 HB3 PRO 62 -6.249 41.191 -0.159 421 HG2 PRO 62 HG2 PRO 62 -5.137 40.481 2.528 422 HG3 PRO 62 HG3 PRO 62 -6.828 40.692 2.037 423 HD2 PRO 62 HD2 PRO 62 -5.680 38.254 2.300 424 HD3 PRO 62 HD3 PRO 62 -6.951 38.587 1.106 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.477 8.956 -5.774 2 HA2 GLY 1 HA2 GLY 1 4.556 8.122 -6.828 3 HA3 GLY 1 HA3 GLY 1 5.423 9.204 -5.748 4 H ALA 2 H ALA 2 4.762 8.806 -3.333 5 HA ALA 2 HA ALA 2 4.265 6.013 -2.727 6 HB1 ALA 2 HB1 ALA 2 6.312 5.426 -1.906 7 HB2 ALA 2 HB2 ALA 2 6.816 6.517 -3.197 8 HB3 ALA 2 HB3 ALA 2 6.763 7.089 -1.530 9 H MET 3 H MET 3 3.499 5.687 -0.669 10 HA MET 3 HA MET 3 2.435 7.932 0.692 11 HB2 MET 3 HB2 MET 3 2.695 5.068 1.627 12 HB3 MET 3 HB3 MET 3 1.681 6.298 2.371 13 HG2 MET 3 HG2 MET 3 0.489 6.486 0.162 14 HG3 MET 3 HG3 MET 3 1.374 5.048 -0.341 15 HE1 MET 3 HE1 MET 3 0.575 2.917 -0.218 16 HE2 MET 3 HE2 MET 3 -0.900 2.363 0.576 17 HE3 MET 3 HE3 MET 3 -0.992 3.541 -0.734 18 H GLY 4 H GLY 4 2.854 8.584 2.893 19 HA2 GLY 4 HA2 GLY 4 4.232 8.605 4.849 20 HA3 GLY 4 HA3 GLY 4 5.529 7.892 3.900 21 H SER 5 H SER 5 5.803 9.487 1.773 22 HA SER 5 HA SER 5 7.307 11.620 2.672 23 HB2 SER 5 HB2 SER 5 7.254 10.568 0.337 24 HB3 SER 5 HB3 SER 5 5.900 11.648 0.003 25 HG SER 5 HG SER 5 8.508 12.192 -0.052 26 H GLU 6 H GLU 6 3.948 11.645 1.518 27 HA GLU 6 HA GLU 6 3.547 14.422 1.799 28 HB2 GLU 6 HB2 GLU 6 1.560 12.146 1.848 29 HB3 GLU 6 HB3 GLU 6 1.123 13.846 1.748 30 HG2 GLU 6 HG2 GLU 6 1.039 13.260 -0.453 31 HG3 GLU 6 HG3 GLU 6 2.707 13.818 -0.334 32 H SER 7 H SER 7 2.685 11.708 3.935 33 HA SER 7 HA SER 7 1.508 13.174 5.982 34 HB2 SER 7 HB2 SER 7 1.462 10.694 5.805 35 HB3 SER 7 HB3 SER 7 3.157 10.653 6.289 36 HG SER 7 HG SER 7 2.447 10.688 8.255 37 H GLU 8 H GLU 8 4.898 12.510 5.327 38 HA GLU 8 HA GLU 8 5.710 13.907 7.759 39 HB2 GLU 8 HB2 GLU 8 7.197 12.298 5.695 40 HB3 GLU 8 HB3 GLU 8 8.044 13.281 6.882 41 HG2 GLU 8 HG2 GLU 8 6.221 10.950 7.409 42 HG3 GLU 8 HG3 GLU 8 7.960 11.038 7.680 43 H GLN 9 H GLN 9 7.649 15.425 7.468 44 HA GLN 9 HA GLN 9 7.838 16.875 5.009 45 HB2 GLN 9 HB2 GLN 9 6.859 18.939 5.664 46 HB3 GLN 9 HB3 GLN 9 5.668 17.692 6.010 47 HG2 GLN 9 HG2 GLN 9 6.490 17.712 8.383 48 HG3 GLN 9 HG3 GLN 9 7.432 19.141 7.961 49 HE21 GLN 9 HE21 GLN 9 5.621 19.327 9.946 50 HE22 GLN 9 HE22 GLN 9 4.262 20.268 9.443 51 H ARG 10 H ARG 10 9.178 18.944 5.370 52 HA ARG 10 HA ARG 10 11.200 18.383 7.440 53 HB2 ARG 10 HB2 ARG 10 11.453 19.255 4.588 54 HB3 ARG 10 HB3 ARG 10 12.681 19.745 5.749 55 HG2 ARG 10 HG2 ARG 10 13.614 17.819 4.981 56 HG3 ARG 10 HG3 ARG 10 12.672 17.174 6.327 57 HD2 ARG 10 HD2 ARG 10 12.345 15.794 4.372 58 HD3 ARG 10 HD3 ARG 10 10.848 16.642 4.755 59 HE ARG 10 HE ARG 10 12.076 18.250 2.934 60 HH11 ARG 10 HH11 ARG 10 11.148 14.896 2.996 61 HH12 ARG 10 HH12 ARG 10 10.886 14.801 1.286 62 HH21 ARG 10 HH21 ARG 10 11.735 18.139 0.681 63 HH22 ARG 10 HH22 ARG 10 11.221 16.646 -0.030 64 H HIS 11 H HIS 11 12.583 20.430 7.865 65 HA HIS 11 HA HIS 11 10.705 22.583 8.502 66 HB2 HIS 11 HB2 HIS 11 13.429 21.852 9.570 67 HB3 HIS 11 HB3 HIS 11 12.644 23.379 9.962 68 HD1 HIS 11 HD1 HIS 11 11.411 23.306 12.092 69 HD2 HIS 11 HD2 HIS 11 11.536 19.577 10.266 70 HE1 HIS 11 HE1 HIS 11 10.221 21.747 13.666 71 H ALA 12 H ALA 12 11.428 22.450 5.830 72 HA ALA 12 HA ALA 12 13.580 24.319 5.338 73 HB1 ALA 12 HB1 ALA 12 13.624 23.286 3.377 74 HB2 ALA 12 HB2 ALA 12 12.189 22.363 3.823 75 HB3 ALA 12 HB3 ALA 12 12.019 23.915 3.004 76 H HIS 13 H HIS 13 13.000 26.282 6.208 77 HA HIS 13 HA HIS 13 10.433 27.463 5.533 78 HB2 HIS 13 HB2 HIS 13 12.588 28.011 7.472 79 HB3 HIS 13 HB3 HIS 13 11.786 29.439 6.824 80 HD1 HIS 13 HD1 HIS 13 10.939 29.720 9.354 81 HD2 HIS 13 HD2 HIS 13 9.383 26.493 7.251 82 HE1 HIS 13 HE1 HIS 13 8.911 28.989 10.649 83 H GLN 14 H GLN 14 10.237 28.308 3.564 84 HA GLN 14 HA GLN 14 12.443 29.976 2.547 85 HB2 GLN 14 HB2 GLN 14 10.833 27.867 1.216 86 HB3 GLN 14 HB3 GLN 14 11.212 29.295 0.263 87 HG2 GLN 14 HG2 GLN 14 13.437 28.833 0.192 88 HG3 GLN 14 HG3 GLN 14 13.427 27.995 1.743 89 HE21 GLN 14 HE21 GLN 14 14.432 27.293 -1.000 90 HE22 GLN 14 HE22 GLN 14 13.760 25.734 -1.320 91 H CYS 15 H CYS 15 11.674 31.586 0.877 92 HA CYS 15 HA CYS 15 9.633 33.192 2.027 93 HB2 CYS 15 HB2 CYS 15 11.667 34.011 0.752 94 HB3 CYS 15 HB3 CYS 15 10.834 33.531 -0.721 95 HG CYS 15 HG CYS 15 8.853 35.425 1.106 96 H VAL 16 H VAL 16 7.552 33.553 1.415 97 HA VAL 16 HA VAL 16 6.221 31.508 -0.051 98 HB VAL 16 HB VAL 16 4.185 32.741 0.348 99 HG11 VAL 16 HG11 VAL 16 4.988 31.500 2.232 100 HG12 VAL 16 HG12 VAL 16 6.082 32.806 2.689 101 HG13 VAL 16 HG13 VAL 16 4.337 33.030 2.821 102 HG21 VAL 16 HG21 VAL 16 4.288 34.972 1.485 103 HG22 VAL 16 HG22 VAL 16 6.014 35.006 1.126 104 HG23 VAL 16 HG23 VAL 16 4.840 34.973 -0.190 105 H SER 17 H SER 17 7.492 34.638 -0.855 106 HA SER 17 HA SER 17 6.004 34.924 -3.297 107 HB2 SER 17 HB2 SER 17 6.796 36.905 -2.094 108 HB3 SER 17 HB3 SER 17 8.467 36.384 -2.309 109 HG SER 17 HG SER 17 6.783 36.739 -4.537 110 H CYS 18 H CYS 18 9.493 34.509 -2.663 111 HA CYS 18 HA CYS 18 9.719 33.196 -5.286 112 HB2 CYS 18 HB2 CYS 18 11.090 35.185 -5.131 113 HB3 CYS 18 HB3 CYS 18 11.796 34.627 -3.620 114 HG CYS 18 HG CYS 18 13.679 34.425 -5.710 115 H GLY 19 H GLY 19 11.776 33.093 -2.388 116 HA2 GLY 19 HA2 GLY 19 11.256 30.754 -1.217 117 HA3 GLY 19 HA3 GLY 19 12.023 30.210 -2.702 118 H ILE 20 H ILE 20 12.831 33.091 -0.826 119 HA ILE 20 HA ILE 20 15.590 32.659 -0.925 120 HB ILE 20 HB ILE 20 14.025 34.270 1.094 121 HG12 ILE 20 HG12 ILE 20 15.198 36.053 -0.600 122 HG13 ILE 20 HG13 ILE 20 14.856 34.722 -1.701 123 HG21 ILE 20 HG21 ILE 20 16.219 33.855 1.957 124 HG22 ILE 20 HG22 ILE 20 16.959 34.260 0.407 125 HG23 ILE 20 HG23 ILE 20 16.168 35.514 1.362 126 HD11 ILE 20 HD11 ILE 20 12.690 35.630 0.109 127 HD12 ILE 20 HD12 ILE 20 13.117 36.644 -1.268 128 HD13 ILE 20 HD13 ILE 20 12.604 34.977 -1.527 129 H ASN 21 H ASN 21 17.070 31.811 0.505 130 HA ASN 21 HA ASN 21 16.105 29.722 2.223 131 HB2 ASN 21 HB2 ASN 21 18.840 30.715 1.454 132 HB3 ASN 21 HB3 ASN 21 18.634 29.514 2.725 133 HD21 ASN 21 HD21 ASN 21 20.008 29.159 0.262 134 HD22 ASN 21 HD22 ASN 21 19.190 27.913 -0.612 135 H ILE 22 H ILE 22 14.937 31.667 3.402 136 HA ILE 22 HA ILE 22 16.655 32.806 5.476 137 HB ILE 22 HB ILE 22 14.618 34.093 6.127 138 HG12 ILE 22 HG12 ILE 22 13.443 32.988 3.570 139 HG13 ILE 22 HG13 ILE 22 13.006 32.410 5.174 140 HG21 ILE 22 HG21 ILE 22 15.327 35.700 4.758 141 HG22 ILE 22 HG22 ILE 22 16.362 34.484 4.010 142 HG23 ILE 22 HG23 ILE 22 14.771 34.827 3.330 143 HD11 ILE 22 HD11 ILE 22 12.797 35.302 4.878 144 HD12 ILE 22 HD12 ILE 22 11.738 34.392 3.801 145 HD13 ILE 22 HD13 ILE 22 11.652 34.138 5.544 146 H ALA 23 H ALA 23 16.170 29.998 5.537 147 HA ALA 23 HA ALA 23 14.106 29.306 7.345 148 HB1 ALA 23 HB1 ALA 23 14.861 27.483 6.172 149 HB2 ALA 23 HB2 ALA 23 16.555 27.949 6.322 150 HB3 ALA 23 HB3 ALA 23 15.704 27.260 7.705 151 H GLY 24 H GLY 24 13.952 29.951 9.387 152 HA2 GLY 24 HA2 GLY 24 14.513 30.356 11.580 153 HA3 GLY 24 HA3 GLY 24 16.011 29.486 11.284 154 H MET 25 H MET 25 15.375 32.126 9.197 155 HA MET 25 HA MET 25 17.417 33.700 10.611 156 HB2 MET 25 HB2 MET 25 16.557 33.816 7.714 157 HB3 MET 25 HB3 MET 25 17.816 34.804 8.443 158 HG2 MET 25 HG2 MET 25 17.940 31.809 8.456 159 HG3 MET 25 HG3 MET 25 18.539 32.769 7.105 160 HE1 MET 25 HE1 MET 25 20.758 34.732 7.625 161 HE2 MET 25 HE2 MET 25 21.968 33.491 7.953 162 HE3 MET 25 HE3 MET 25 20.676 33.178 6.794 163 H SER 26 H SER 26 17.100 36.168 9.639 164 HA SER 26 HA SER 26 14.733 37.073 10.998 165 HB2 SER 26 HB2 SER 26 16.702 38.387 11.318 166 HB3 SER 26 HB3 SER 26 16.974 38.522 9.581 167 HG SER 26 HG SER 26 15.552 40.123 11.164 168 H ALA 27 H ALA 27 12.814 37.409 10.111 169 HA ALA 27 HA ALA 27 12.374 38.687 7.651 170 HB1 ALA 27 HB1 ALA 27 11.477 35.893 7.304 171 HB2 ALA 27 HB2 ALA 27 12.043 37.063 6.111 172 HB3 ALA 27 HB3 ALA 27 13.204 36.198 7.119 173 H ALA 28 H ALA 28 10.034 38.565 6.983 174 HA ALA 28 HA ALA 28 8.359 39.167 9.107 175 HB1 ALA 28 HB1 ALA 28 6.792 39.603 7.541 176 HB2 ALA 28 HB2 ALA 28 8.156 39.414 6.439 177 HB3 ALA 28 HB3 ALA 28 7.044 38.071 6.705 178 H THR 29 H THR 29 8.042 37.765 10.739 179 HA THR 29 HA THR 29 7.254 35.008 10.081 180 HB THR 29 HB THR 29 7.673 35.396 12.897 181 HG1 THR 29 HG1 THR 29 10.009 35.928 11.391 182 HG21 THR 29 HG21 THR 29 8.693 33.686 10.696 183 HG22 THR 29 HG22 THR 29 9.666 33.782 12.164 184 HG23 THR 29 HG23 THR 29 7.993 33.233 12.250 185 H PHE 30 H PHE 30 5.125 34.724 10.036 186 HA PHE 30 HA PHE 30 3.520 35.799 12.237 187 HB2 PHE 30 HB2 PHE 30 1.725 36.441 10.659 188 HB3 PHE 30 HB3 PHE 30 3.198 37.372 10.408 189 HD1 PHE 30 HD1 PHE 30 4.749 36.660 8.528 190 HD2 PHE 30 HD2 PHE 30 0.753 35.248 8.912 191 HE1 PHE 30 HE1 PHE 30 4.752 36.015 6.153 192 HE2 PHE 30 HE2 PHE 30 0.749 34.600 6.539 193 HZ PHE 30 HZ PHE 30 2.751 34.982 5.156 194 H LYS 31 H LYS 31 1.242 34.810 12.152 195 HA LYS 31 HA LYS 31 1.529 31.950 11.519 196 HB2 LYS 31 HB2 LYS 31 1.245 32.246 13.868 197 HB3 LYS 31 HB3 LYS 31 -0.077 33.382 13.633 198 HG2 LYS 31 HG2 LYS 31 -1.458 31.567 12.726 199 HG3 LYS 31 HG3 LYS 31 -0.135 30.435 13.017 200 HD2 LYS 31 HD2 LYS 31 -1.301 32.120 15.216 201 HD3 LYS 31 HD3 LYS 31 -1.990 30.556 14.772 202 HE2 LYS 31 HE2 LYS 31 -0.538 29.936 16.441 203 HE3 LYS 31 HE3 LYS 31 0.485 29.738 15.018 204 HZ1 LYS 31 HZ1 LYS 31 0.550 32.378 16.189 205 HZ2 LYS 31 HZ2 LYS 31 1.160 31.159 17.191 206 HZ3 LYS 31 HZ3 LYS 31 1.821 31.399 15.653 207 H CYS 32 H CYS 32 0.296 31.128 9.967 208 HA CYS 32 HA CYS 32 -1.540 32.702 8.505 209 HB2 CYS 32 HB2 CYS 32 -0.200 30.726 7.646 210 HB3 CYS 32 HB3 CYS 32 -1.364 29.688 8.460 211 HG CYS 32 HG CYS 32 -2.855 29.527 6.385 212 HA PRO 33 HA PRO 33 -5.088 32.205 11.124 213 HB2 PRO 33 HB2 PRO 33 -6.868 33.392 9.453 214 HB3 PRO 33 HB3 PRO 33 -5.701 34.304 10.418 215 HG2 PRO 33 HG2 PRO 33 -5.570 33.514 7.533 216 HG3 PRO 33 HG3 PRO 33 -5.149 35.062 8.290 217 HD2 PRO 33 HD2 PRO 33 -3.284 33.228 7.589 218 HD3 PRO 33 HD3 PRO 33 -3.087 34.304 8.987 219 H ASP 34 H ASP 34 -4.485 30.694 8.168 220 HA ASP 34 HA ASP 34 -7.064 29.350 8.022 221 HB2 ASP 34 HB2 ASP 34 -5.628 30.147 6.009 222 HB3 ASP 34 HB3 ASP 34 -4.690 28.686 6.306 223 H CYS 35 H CYS 35 -3.640 28.402 8.325 224 HA CYS 35 HA CYS 35 -4.541 25.897 9.584 225 HB2 CYS 35 HB2 CYS 35 -2.191 25.097 8.980 226 HB3 CYS 35 HB3 CYS 35 -3.316 25.327 7.647 227 HG CYS 35 HG CYS 35 -0.557 26.171 7.159 228 H GLY 36 H GLY 36 -2.085 28.455 9.755 229 HA2 GLY 36 HA2 GLY 36 -1.561 29.476 11.874 230 HA3 GLY 36 HA3 GLY 36 -1.895 27.934 12.649 231 H GLN 37 H GLN 37 -0.086 27.864 9.724 232 HA GLN 37 HA GLN 37 2.218 26.858 11.154 233 HB2 GLN 37 HB2 GLN 37 1.678 27.191 8.199 234 HB3 GLN 37 HB3 GLN 37 3.126 26.450 8.868 235 HG2 GLN 37 HG2 GLN 37 1.652 24.770 9.983 236 HG3 GLN 37 HG3 GLN 37 0.298 25.455 9.085 237 HE21 GLN 37 HE21 GLN 37 3.514 24.054 8.642 238 HE22 GLN 37 HE22 GLN 37 3.165 23.285 7.135 239 H GLU 38 H GLU 38 4.166 27.834 11.388 240 HA GLU 38 HA GLU 38 4.320 30.639 11.287 241 HB2 GLU 38 HB2 GLU 38 5.670 29.001 12.730 242 HB3 GLU 38 HB3 GLU 38 6.720 28.822 11.331 243 HG2 GLU 38 HG2 GLU 38 7.161 31.233 11.367 244 HG3 GLU 38 HG3 GLU 38 6.138 31.387 12.794 245 H ILE 39 H ILE 39 4.393 31.836 9.511 246 HA ILE 39 HA ILE 39 5.728 30.781 7.121 247 HB ILE 39 HB ILE 39 4.024 33.259 7.241 248 HG12 ILE 39 HG12 ILE 39 3.146 30.414 6.704 249 HG13 ILE 39 HG13 ILE 39 2.687 31.396 8.091 250 HG21 ILE 39 HG21 ILE 39 3.911 33.103 4.913 251 HG22 ILE 39 HG22 ILE 39 5.590 32.712 5.289 252 HG23 ILE 39 HG23 ILE 39 4.448 31.423 4.909 253 HD11 ILE 39 HD11 ILE 39 2.039 32.817 5.715 254 HD12 ILE 39 HD12 ILE 39 1.401 31.177 5.596 255 HD13 ILE 39 HD13 ILE 39 0.965 32.196 6.969 256 H SER 40 H SER 40 7.611 31.576 6.449 257 HA SER 40 HA SER 40 8.556 34.101 7.642 258 HB2 SER 40 HB2 SER 40 10.852 33.205 7.369 259 HB3 SER 40 HB3 SER 40 9.867 32.203 8.434 260 HG SER 40 HG SER 40 9.467 30.872 6.541 261 H ARG 41 H ARG 41 8.428 35.679 6.191 262 HA ARG 41 HA ARG 41 9.165 35.080 3.401 263 HB2 ARG 41 HB2 ARG 41 7.443 37.393 4.275 264 HB3 ARG 41 HB3 ARG 41 7.646 36.741 2.655 265 HG2 ARG 41 HG2 ARG 41 6.431 34.752 3.246 266 HG3 ARG 41 HG3 ARG 41 6.335 35.271 4.930 267 HD2 ARG 41 HD2 ARG 41 5.034 36.558 2.537 268 HD3 ARG 41 HD3 ARG 41 4.235 35.736 3.877 269 HE ARG 41 HE ARG 41 5.632 37.771 5.048 270 HH11 ARG 41 HH11 ARG 41 3.226 37.547 2.542 271 HH12 ARG 41 HH12 ARG 41 2.550 39.108 2.872 272 HH21 ARG 41 HH21 ARG 41 4.750 39.827 5.493 273 HH22 ARG 41 HH22 ARG 41 3.418 40.404 4.550 274 H CYS 42 H CYS 42 10.978 35.984 2.702 275 HA CYS 42 HA CYS 42 12.645 37.582 4.239 276 HB2 CYS 42 HB2 CYS 42 13.027 36.239 1.986 277 HB3 CYS 42 HB3 CYS 42 12.764 37.822 1.266 278 HG CYS 42 HG CYS 42 15.493 37.484 1.380 279 H SER 43 H SER 43 13.440 39.802 3.607 280 HA SER 43 HA SER 43 11.519 41.716 4.050 281 HB2 SER 43 HB2 SER 43 14.195 41.949 2.667 282 HB3 SER 43 HB3 SER 43 13.203 43.348 3.078 283 HG SER 43 HG SER 43 14.734 42.884 4.710 284 H LYS 44 H LYS 44 12.544 40.319 1.010 285 HA LYS 44 HA LYS 44 11.548 42.122 -0.821 286 HB2 LYS 44 HB2 LYS 44 11.656 39.110 -0.888 287 HB3 LYS 44 HB3 LYS 44 11.122 40.062 -2.267 288 HG2 LYS 44 HG2 LYS 44 13.803 40.393 -0.942 289 HG3 LYS 44 HG3 LYS 44 13.511 39.360 -2.344 290 HD2 LYS 44 HD2 LYS 44 12.811 41.264 -3.653 291 HD3 LYS 44 HD3 LYS 44 12.938 42.321 -2.245 292 HE2 LYS 44 HE2 LYS 44 15.281 42.172 -2.212 293 HE3 LYS 44 HE3 LYS 44 15.291 40.763 -3.272 294 HZ1 LYS 44 HZ1 LYS 44 14.584 43.544 -4.035 295 HZ2 LYS 44 HZ2 LYS 44 15.967 42.688 -4.501 296 HZ3 LYS 44 HZ3 LYS 44 14.444 42.206 -5.060 297 H CYS 45 H CYS 45 9.816 39.899 1.232 298 HA CYS 45 HA CYS 45 7.369 39.722 -0.030 299 HB2 CYS 45 HB2 CYS 45 6.444 39.130 2.064 300 HB3 CYS 45 HB3 CYS 45 8.121 38.605 2.135 301 HG CYS 45 HG CYS 45 8.802 39.975 4.205 302 H ARG 46 H ARG 46 8.817 42.442 1.552 303 HA ARG 46 HA ARG 46 6.678 44.012 2.252 304 HB2 ARG 46 HB2 ARG 46 9.320 44.781 1.015 305 HB3 ARG 46 HB3 ARG 46 8.162 45.970 1.598 306 HG2 ARG 46 HG2 ARG 46 9.280 43.781 3.329 307 HG3 ARG 46 HG3 ARG 46 10.018 45.377 3.181 308 HD2 ARG 46 HD2 ARG 46 7.171 44.883 4.042 309 HD3 ARG 46 HD3 ARG 46 8.518 45.134 5.151 310 HE ARG 46 HE ARG 46 7.134 47.134 3.627 311 HH11 ARG 46 HH11 ARG 46 10.128 46.308 5.200 312 HH12 ARG 46 HH12 ARG 46 10.612 47.956 5.430 313 HH21 ARG 46 HH21 ARG 46 7.761 49.307 3.924 314 HH22 ARG 46 HH22 ARG 46 9.265 49.660 4.704 315 H LYS 47 H LYS 47 7.936 43.357 -0.958 316 HA LYS 47 HA LYS 47 6.210 45.290 -2.232 317 HB2 LYS 47 HB2 LYS 47 8.567 44.278 -2.974 318 HB3 LYS 47 HB3 LYS 47 7.524 43.126 -3.796 319 HG2 LYS 47 HG2 LYS 47 7.163 46.085 -4.114 320 HG3 LYS 47 HG3 LYS 47 8.298 45.167 -5.107 321 HD2 LYS 47 HD2 LYS 47 6.218 43.616 -5.496 322 HD3 LYS 47 HD3 LYS 47 5.316 45.060 -5.030 323 HE2 LYS 47 HE2 LYS 47 6.564 46.321 -6.778 324 HE3 LYS 47 HE3 LYS 47 7.295 44.801 -7.291 325 HZ1 LYS 47 HZ1 LYS 47 5.422 45.288 -8.679 326 HZ2 LYS 47 HZ2 LYS 47 5.034 43.954 -7.712 327 HZ3 LYS 47 HZ3 LYS 47 4.405 45.480 -7.340 328 H GLN 48 H GLN 48 6.236 41.836 -1.624 329 HA GLN 48 HA GLN 48 3.941 41.331 -3.297 330 HB2 GLN 48 HB2 GLN 48 5.599 39.661 -1.432 331 HB3 GLN 48 HB3 GLN 48 4.072 39.054 -2.060 332 HG2 GLN 48 HG2 GLN 48 5.588 38.203 -3.561 333 HG3 GLN 48 HG3 GLN 48 5.056 39.677 -4.370 334 HE21 GLN 48 HE21 GLN 48 6.771 40.337 -5.478 335 HE22 GLN 48 HE22 GLN 48 8.347 40.603 -4.823 336 H SER 49 H SER 49 4.256 42.857 -0.439 337 HA SER 49 HA SER 49 2.413 41.735 1.303 338 HB2 SER 49 HB2 SER 49 2.910 44.686 0.838 339 HB3 SER 49 HB3 SER 49 2.192 43.970 2.281 340 HG SER 49 HG SER 49 4.423 44.387 2.557 341 H ASN 50 H ASN 50 1.897 43.684 -1.563 342 HA ASN 50 HA ASN 50 -0.729 44.470 -1.240 343 HB2 ASN 50 HB2 ASN 50 0.986 44.845 -3.201 344 HB3 ASN 50 HB3 ASN 50 0.170 43.454 -3.908 345 HD21 ASN 50 HD21 ASN 50 -0.039 45.554 -5.381 346 HD22 ASN 50 HD22 ASN 50 -1.572 46.339 -5.235 347 H LEU 51 H LEU 51 0.550 41.327 -2.136 348 HA LEU 51 HA LEU 51 -1.939 40.063 -1.456 349 HB2 LEU 51 HB2 LEU 51 -2.081 40.872 -3.906 350 HB3 LEU 51 HB3 LEU 51 -0.962 39.552 -4.241 351 HG LEU 51 HG LEU 51 -2.762 38.096 -3.035 352 HD11 LEU 51 HD11 LEU 51 -4.829 39.784 -4.164 353 HD12 LEU 51 HD12 LEU 51 -4.751 38.987 -2.593 354 HD13 LEU 51 HD13 LEU 51 -3.992 40.562 -2.820 355 HD21 LEU 51 HD21 LEU 51 -3.503 37.424 -5.102 356 HD22 LEU 51 HD22 LEU 51 -3.618 39.072 -5.719 357 HD23 LEU 51 HD23 LEU 51 -2.040 38.303 -5.545 358 H TYR 52 H TYR 52 -1.453 38.226 -0.461 359 HA TYR 52 HA TYR 52 0.987 36.787 -1.263 360 HB2 TYR 52 HB2 TYR 52 1.606 36.400 0.986 361 HB3 TYR 52 HB3 TYR 52 1.189 38.108 0.912 362 HD1 TYR 52 HD1 TYR 52 -1.385 38.596 1.450 363 HD2 TYR 52 HD2 TYR 52 0.785 35.178 2.759 364 HE1 TYR 52 HE1 TYR 52 -2.991 38.288 3.287 365 HE2 TYR 52 HE2 TYR 52 -0.816 34.859 4.599 366 HH TYR 52 HH TYR 52 -3.045 35.441 5.222 367 H GLU 53 H GLU 53 0.970 34.504 -0.239 368 HA GLU 53 HA GLU 53 -1.633 33.333 0.156 369 HB2 GLU 53 HB2 GLU 53 -1.704 33.382 -2.232 370 HB3 GLU 53 HB3 GLU 53 -0.052 32.793 -2.356 371 HG2 GLU 53 HG2 GLU 53 -0.774 30.648 -1.383 372 HG3 GLU 53 HG3 GLU 53 -2.433 31.245 -1.360 373 H CYS 54 H CYS 54 -1.398 31.801 1.634 374 HA CYS 54 HA CYS 54 1.102 30.957 2.595 375 HB2 CYS 54 HB2 CYS 54 -1.001 30.962 3.924 376 HB3 CYS 54 HB3 CYS 54 -1.572 29.595 2.974 377 HG CYS 54 HG CYS 54 -0.782 28.609 5.440 378 HA PRO 55 HA PRO 55 1.918 27.976 -0.651 379 HB2 PRO 55 HB2 PRO 55 4.427 27.380 0.197 380 HB3 PRO 55 HB3 PRO 55 4.045 28.841 -0.723 381 HG2 PRO 55 HG2 PRO 55 4.422 28.505 2.228 382 HG3 PRO 55 HG3 PRO 55 5.018 29.792 1.163 383 HD2 PRO 55 HD2 PRO 55 2.834 30.096 2.735 384 HD3 PRO 55 HD3 PRO 55 2.995 30.898 1.159 385 H ASP 56 H ASP 56 1.671 27.555 2.723 386 HA ASP 56 HA ASP 56 2.301 24.740 2.751 387 HB2 ASP 56 HB2 ASP 56 1.880 26.798 4.698 388 HB3 ASP 56 HB3 ASP 56 0.802 25.451 5.054 389 H CYS 57 H CYS 57 -0.679 26.616 3.332 390 HA CYS 57 HA CYS 57 -2.228 24.223 2.614 391 HB2 CYS 57 HB2 CYS 57 -4.116 25.324 3.773 392 HB3 CYS 57 HB3 CYS 57 -2.732 25.083 4.832 393 HG CYS 57 HG CYS 57 -4.389 27.757 4.519 394 H GLY 58 H GLY 58 -0.952 26.344 0.839 395 HA2 GLY 58 HA2 GLY 58 -1.504 27.628 -0.997 396 HA3 GLY 58 HA3 GLY 58 -2.668 26.341 -1.276 397 H PHE 59 H PHE 59 -2.610 28.726 1.342 398 HA PHE 59 HA PHE 59 -5.348 29.461 0.664 399 HB2 PHE 59 HB2 PHE 59 -4.968 28.965 2.987 400 HB3 PHE 59 HB3 PHE 59 -3.608 30.082 3.055 401 HD1 PHE 59 HD1 PHE 59 -7.278 29.917 2.565 402 HD2 PHE 59 HD2 PHE 59 -3.930 32.320 3.628 403 HE1 PHE 59 HE1 PHE 59 -8.800 31.714 3.279 404 HE2 PHE 59 HE2 PHE 59 -5.446 34.120 4.345 405 HZ PHE 59 HZ PHE 59 -7.884 33.819 4.171 406 H MET 60 H MET 60 -5.548 30.997 -0.833 407 HA MET 60 HA MET 60 -3.546 33.038 -1.197 408 HB2 MET 60 HB2 MET 60 -6.255 32.739 -2.507 409 HB3 MET 60 HB3 MET 60 -4.963 33.809 -3.034 410 HG2 MET 60 HG2 MET 60 -3.733 32.116 -3.931 411 HG3 MET 60 HG3 MET 60 -4.368 30.913 -2.811 412 HE1 MET 60 HE1 MET 60 -4.978 30.261 -6.725 413 HE2 MET 60 HE2 MET 60 -3.715 30.364 -5.498 414 HE3 MET 60 HE3 MET 60 -4.937 29.096 -5.401 415 H GLY 61 H GLY 61 -3.582 35.094 -0.488 416 HA2 GLY 61 HA2 GLY 61 -6.077 36.197 0.580 417 HA3 GLY 61 HA3 GLY 61 -4.702 36.081 1.669 418 HA PRO 62 HA PRO 62 -4.683 40.134 -0.751 419 HB2 PRO 62 HB2 PRO 62 -5.055 41.783 1.374 420 HB3 PRO 62 HB3 PRO 62 -6.393 41.113 0.432 421 HG2 PRO 62 HG2 PRO 62 -5.279 40.197 3.055 422 HG3 PRO 62 HG3 PRO 62 -6.972 40.356 2.552 423 HD2 PRO 62 HD2 PRO 62 -5.680 37.976 2.588 424 HD3 PRO 62 HD3 PRO 62 -6.952 38.355 1.408 Start of MODEL 9 1 H1 GLY 1 H GLY 1 4.729 5.924 -7.932 2 HA2 GLY 1 HA2 GLY 1 2.552 7.496 -7.559 3 HA3 GLY 1 HA3 GLY 1 3.349 6.663 -6.232 4 H ALA 2 H ALA 2 3.136 8.167 -4.649 5 HA ALA 2 HA ALA 2 4.862 10.473 -4.803 6 HB1 ALA 2 HB1 ALA 2 3.331 12.171 -4.713 7 HB2 ALA 2 HB2 ALA 2 2.472 11.033 -5.750 8 HB3 ALA 2 HB3 ALA 2 2.066 11.145 -4.038 9 H MET 3 H MET 3 5.817 10.724 -2.891 10 HA MET 3 HA MET 3 5.149 9.116 -0.666 11 HB2 MET 3 HB2 MET 3 6.925 10.278 0.496 12 HB3 MET 3 HB3 MET 3 7.437 9.930 -1.150 13 HG2 MET 3 HG2 MET 3 6.717 12.291 -1.720 14 HG3 MET 3 HG3 MET 3 6.598 12.563 0.017 15 HE1 MET 3 HE1 MET 3 8.749 13.330 -2.837 16 HE2 MET 3 HE2 MET 3 8.308 14.463 -1.560 17 HE3 MET 3 HE3 MET 3 10.003 14.062 -1.836 18 H GLY 4 H GLY 4 4.472 9.786 1.448 19 HA2 GLY 4 HA2 GLY 4 2.260 11.596 1.368 20 HA3 GLY 4 HA3 GLY 4 2.855 10.742 2.784 21 H SER 5 H SER 5 3.080 13.648 0.872 22 HA SER 5 HA SER 5 5.202 14.941 2.104 23 HB2 SER 5 HB2 SER 5 4.149 17.039 1.375 24 HB3 SER 5 HB3 SER 5 4.056 15.815 0.109 25 HG SER 5 HG SER 5 1.991 16.134 0.153 26 H GLU 6 H GLU 6 1.861 14.597 3.152 27 HA GLU 6 HA GLU 6 2.036 16.424 5.324 28 HB2 GLU 6 HB2 GLU 6 0.116 14.229 4.595 29 HB3 GLU 6 HB3 GLU 6 -0.024 15.084 6.125 30 HG2 GLU 6 HG2 GLU 6 0.061 16.531 3.501 31 HG3 GLU 6 HG3 GLU 6 -1.440 15.906 4.180 32 H SER 7 H SER 7 2.565 12.961 4.980 33 HA SER 7 HA SER 7 2.755 12.329 7.716 34 HB2 SER 7 HB2 SER 7 2.643 10.796 5.574 35 HB3 SER 7 HB3 SER 7 4.402 10.865 5.690 36 HG SER 7 HG SER 7 3.296 9.107 6.858 37 H GLU 8 H GLU 8 5.308 13.009 5.325 38 HA GLU 8 HA GLU 8 7.395 12.973 7.272 39 HB2 GLU 8 HB2 GLU 8 8.843 13.695 5.486 40 HB3 GLU 8 HB3 GLU 8 7.747 12.469 4.865 41 HG2 GLU 8 HG2 GLU 8 6.315 14.348 4.000 42 HG3 GLU 8 HG3 GLU 8 7.640 15.435 4.412 43 H GLN 9 H GLN 9 8.468 14.660 8.242 44 HA GLN 9 HA GLN 9 7.492 17.378 7.768 45 HB2 GLN 9 HB2 GLN 9 7.630 16.070 10.490 46 HB3 GLN 9 HB3 GLN 9 7.317 17.777 10.206 47 HG2 GLN 9 HG2 GLN 9 5.267 17.220 9.022 48 HG3 GLN 9 HG3 GLN 9 5.586 15.503 9.262 49 HE21 GLN 9 HE21 GLN 9 4.090 14.819 10.630 50 HE22 GLN 9 HE22 GLN 9 3.707 15.544 12.150 51 H ARG 10 H ARG 10 9.007 18.960 8.037 52 HA ARG 10 HA ARG 10 11.486 18.463 9.415 53 HB2 ARG 10 HB2 ARG 10 12.940 18.785 7.478 54 HB3 ARG 10 HB3 ARG 10 11.928 17.363 7.268 55 HG2 ARG 10 HG2 ARG 10 10.981 19.947 6.147 56 HG3 ARG 10 HG3 ARG 10 12.290 19.094 5.325 57 HD2 ARG 10 HD2 ARG 10 10.816 17.046 5.368 58 HD3 ARG 10 HD3 ARG 10 9.509 18.099 5.906 59 HE ARG 10 HE ARG 10 10.605 17.907 3.253 60 HH11 ARG 10 HH11 ARG 10 8.854 19.908 5.500 61 HH12 ARG 10 HH12 ARG 10 8.087 20.850 4.265 62 HH21 ARG 10 HH21 ARG 10 9.602 19.140 1.617 63 HH22 ARG 10 HH22 ARG 10 8.512 20.412 2.056 64 H HIS 11 H HIS 11 13.015 20.400 9.062 65 HA HIS 11 HA HIS 11 11.490 22.778 9.584 66 HB2 HIS 11 HB2 HIS 11 14.448 22.198 9.479 67 HB3 HIS 11 HB3 HIS 11 13.814 23.816 9.766 68 HD1 HIS 11 HD1 HIS 11 13.432 24.391 12.142 69 HD2 HIS 11 HD2 HIS 11 13.451 20.282 11.527 70 HE1 HIS 11 HE1 HIS 11 13.232 23.368 14.431 71 H ALA 12 H ALA 12 10.556 22.493 7.281 72 HA ALA 12 HA ALA 12 12.258 23.564 5.183 73 HB1 ALA 12 HB1 ALA 12 9.415 22.578 5.203 74 HB2 ALA 12 HB2 ALA 12 10.183 23.288 3.783 75 HB3 ALA 12 HB3 ALA 12 10.829 21.805 4.487 76 H HIS 13 H HIS 13 12.655 25.684 5.801 77 HA HIS 13 HA HIS 13 10.301 27.454 5.893 78 HB2 HIS 13 HB2 HIS 13 13.011 27.711 7.194 79 HB3 HIS 13 HB3 HIS 13 11.896 29.067 7.053 80 HD1 HIS 13 HD1 HIS 13 12.750 28.035 9.814 81 HD2 HIS 13 HD2 HIS 13 9.334 26.773 7.814 82 HE1 HIS 13 HE1 HIS 13 11.206 27.171 11.601 83 H GLN 14 H GLN 14 10.006 28.446 4.014 84 HA GLN 14 HA GLN 14 12.259 29.792 2.751 85 HB2 GLN 14 HB2 GLN 14 10.749 27.527 1.562 86 HB3 GLN 14 HB3 GLN 14 11.132 28.876 0.502 87 HG2 GLN 14 HG2 GLN 14 13.356 28.446 0.521 88 HG3 GLN 14 HG3 GLN 14 13.330 27.797 2.160 89 HE21 GLN 14 HE21 GLN 14 12.303 27.082 -1.146 90 HE22 GLN 14 HE22 GLN 14 12.503 25.370 -1.026 91 H CYS 15 H CYS 15 11.473 31.205 0.904 92 HA CYS 15 HA CYS 15 9.397 32.875 1.859 93 HB2 CYS 15 HB2 CYS 15 11.395 33.569 0.453 94 HB3 CYS 15 HB3 CYS 15 10.544 32.899 -0.933 95 HG CYS 15 HG CYS 15 8.481 34.907 0.598 96 H VAL 16 H VAL 16 7.304 33.137 1.218 97 HA VAL 16 HA VAL 16 5.994 30.891 0.052 98 HB VAL 16 HB VAL 16 3.938 32.147 0.305 99 HG11 VAL 16 HG11 VAL 16 5.431 31.264 2.322 100 HG12 VAL 16 HG12 VAL 16 5.390 32.973 2.755 101 HG13 VAL 16 HG13 VAL 16 3.884 32.071 2.578 102 HG21 VAL 16 HG21 VAL 16 4.405 34.529 1.450 103 HG22 VAL 16 HG22 VAL 16 5.795 34.443 0.368 104 HG23 VAL 16 HG23 VAL 16 4.162 34.321 -0.285 105 H SER 17 H SER 17 7.196 33.912 -1.165 106 HA SER 17 HA SER 17 5.670 33.859 -3.599 107 HB2 SER 17 HB2 SER 17 6.280 36.030 -3.063 108 HB3 SER 17 HB3 SER 17 7.883 35.553 -2.503 109 HG SER 17 HG SER 17 8.572 35.405 -4.581 110 H CYS 18 H CYS 18 9.173 33.577 -2.972 111 HA CYS 18 HA CYS 18 9.376 31.920 -5.397 112 HB2 CYS 18 HB2 CYS 18 10.690 33.936 -5.588 113 HB3 CYS 18 HB3 CYS 18 11.439 33.649 -4.022 114 HG CYS 18 HG CYS 18 12.728 32.963 -6.803 115 H GLY 19 H GLY 19 11.501 32.299 -2.571 116 HA2 GLY 19 HA2 GLY 19 11.082 30.132 -1.069 117 HA3 GLY 19 HA3 GLY 19 11.847 29.412 -2.477 118 H ILE 20 H ILE 20 12.573 32.556 -1.042 119 HA ILE 20 HA ILE 20 15.337 32.246 -1.144 120 HB ILE 20 HB ILE 20 13.741 33.991 0.736 121 HG12 ILE 20 HG12 ILE 20 14.843 35.577 -1.243 122 HG13 ILE 20 HG13 ILE 20 14.355 34.130 -2.120 123 HG21 ILE 20 HG21 ILE 20 15.990 35.353 0.435 124 HG22 ILE 20 HG22 ILE 20 15.810 34.121 1.685 125 HG23 ILE 20 HG23 ILE 20 16.647 33.735 0.181 126 HD11 ILE 20 HD11 ILE 20 12.163 34.556 -1.862 127 HD12 ILE 20 HD12 ILE 20 12.371 35.235 -0.247 128 HD13 ILE 20 HD13 ILE 20 12.738 36.212 -1.668 129 H ASN 21 H ASN 21 16.895 31.660 0.341 130 HA ASN 21 HA ASN 21 16.115 29.688 2.264 131 HB2 ASN 21 HB2 ASN 21 18.605 29.664 2.774 132 HB3 ASN 21 HB3 ASN 21 18.155 29.281 1.114 133 HD21 ASN 21 HD21 ASN 21 20.188 31.053 3.013 134 HD22 ASN 21 HD22 ASN 21 20.687 32.240 1.861 135 H ILE 22 H ILE 22 14.734 31.285 3.465 136 HA ILE 22 HA ILE 22 16.314 32.882 5.365 137 HB ILE 22 HB ILE 22 14.094 33.948 5.924 138 HG12 ILE 22 HG12 ILE 22 13.182 32.763 3.306 139 HG13 ILE 22 HG13 ILE 22 12.795 32.021 4.855 140 HG21 ILE 22 HG21 ILE 22 14.284 34.695 3.162 141 HG22 ILE 22 HG22 ILE 22 14.804 35.580 4.597 142 HG23 ILE 22 HG23 ILE 22 15.895 34.427 3.828 143 HD11 ILE 22 HD11 ILE 22 11.331 33.665 5.430 144 HD12 ILE 22 HD12 ILE 22 12.164 34.895 4.479 145 HD13 ILE 22 HD13 ILE 22 11.151 33.696 3.676 146 H ALA 23 H ALA 23 16.109 30.048 5.632 147 HA ALA 23 HA ALA 23 14.115 29.384 7.567 148 HB1 ALA 23 HB1 ALA 23 14.983 27.639 6.179 149 HB2 ALA 23 HB2 ALA 23 16.632 27.963 6.715 150 HB3 ALA 23 HB3 ALA 23 15.452 27.297 7.844 151 H GLY 24 H GLY 24 14.106 30.109 9.589 152 HA2 GLY 24 HA2 GLY 24 14.843 30.516 11.736 153 HA3 GLY 24 HA3 GLY 24 16.389 29.810 11.288 154 H MET 25 H MET 25 15.259 32.340 9.275 155 HA MET 25 HA MET 25 17.372 34.076 10.297 156 HB2 MET 25 HB2 MET 25 15.740 34.106 7.761 157 HB3 MET 25 HB3 MET 25 16.829 35.413 8.204 158 HG2 MET 25 HG2 MET 25 17.697 32.550 7.916 159 HG3 MET 25 HG3 MET 25 17.764 33.732 6.612 160 HE1 MET 25 HE1 MET 25 20.140 35.457 6.424 161 HE2 MET 25 HE2 MET 25 21.320 34.228 6.877 162 HE3 MET 25 HE3 MET 25 19.870 33.770 5.985 163 H SER 26 H SER 26 16.675 36.553 9.831 164 HA SER 26 HA SER 26 14.505 37.018 11.712 165 HB2 SER 26 HB2 SER 26 16.601 38.828 10.505 166 HB3 SER 26 HB3 SER 26 15.306 39.421 11.545 167 HG SER 26 HG SER 26 17.226 38.958 12.714 168 H ALA 27 H ALA 27 13.447 36.026 9.445 169 HA ALA 27 HA ALA 27 12.537 38.272 7.811 170 HB1 ALA 27 HB1 ALA 27 12.457 36.794 6.157 171 HB2 ALA 27 HB2 ALA 27 13.083 35.572 7.264 172 HB3 ALA 27 HB3 ALA 27 11.342 35.775 7.068 173 H ALA 28 H ALA 28 10.113 38.008 7.127 174 HA ALA 28 HA ALA 28 8.552 38.526 9.428 175 HB1 ALA 28 HB1 ALA 28 7.433 37.897 6.711 176 HB2 ALA 28 HB2 ALA 28 6.764 38.948 7.960 177 HB3 ALA 28 HB3 ALA 28 8.212 39.436 7.079 178 H THR 29 H THR 29 8.286 36.877 10.839 179 HA THR 29 HA THR 29 7.248 34.327 9.795 180 HB THR 29 HB THR 29 7.929 34.064 12.539 181 HG1 THR 29 HG1 THR 29 10.102 34.702 12.501 182 HG21 THR 29 HG21 THR 29 8.250 32.120 11.424 183 HG22 THR 29 HG22 THR 29 8.716 32.932 9.930 184 HG23 THR 29 HG23 THR 29 9.890 32.741 11.232 185 H PHE 30 H PHE 30 5.109 34.197 9.935 186 HA PHE 30 HA PHE 30 3.819 35.053 12.432 187 HB2 PHE 30 HB2 PHE 30 1.835 35.744 10.974 188 HB3 PHE 30 HB3 PHE 30 3.236 36.810 10.965 189 HD1 PHE 30 HD1 PHE 30 4.774 36.806 9.025 190 HD2 PHE 30 HD2 PHE 30 1.109 34.641 9.012 191 HE1 PHE 30 HE1 PHE 30 4.883 36.643 6.572 192 HE2 PHE 30 HE2 PHE 30 1.213 34.473 6.559 193 HZ PHE 30 HZ PHE 30 3.101 35.476 5.336 194 H LYS 31 H LYS 31 1.588 34.102 12.647 195 HA LYS 31 HA LYS 31 1.671 31.307 11.753 196 HB2 LYS 31 HB2 LYS 31 1.583 31.486 14.133 197 HB3 LYS 31 HB3 LYS 31 0.275 32.659 14.061 198 HG2 LYS 31 HG2 LYS 31 -1.256 30.972 13.275 199 HG3 LYS 31 HG3 LYS 31 0.049 29.786 13.188 200 HD2 LYS 31 HD2 LYS 31 0.132 29.509 15.458 201 HD3 LYS 31 HD3 LYS 31 -0.428 31.150 15.787 202 HE2 LYS 31 HE2 LYS 31 -2.165 28.957 14.665 203 HE3 LYS 31 HE3 LYS 31 -2.065 29.360 16.378 204 HZ1 LYS 31 HZ1 LYS 31 -2.555 31.752 15.212 205 HZ2 LYS 31 HZ2 LYS 31 -3.478 30.697 14.265 206 HZ3 LYS 31 HZ3 LYS 31 -3.720 30.764 15.938 207 H CYS 32 H CYS 32 0.306 30.630 10.244 208 HA CYS 32 HA CYS 32 -1.591 32.339 9.036 209 HB2 CYS 32 HB2 CYS 32 -0.382 30.393 7.949 210 HB3 CYS 32 HB3 CYS 32 -1.507 29.331 8.788 211 HG CYS 32 HG CYS 32 -3.355 29.446 7.018 212 HA PRO 33 HA PRO 33 -4.940 31.760 11.890 213 HB2 PRO 33 HB2 PRO 33 -6.808 33.097 10.443 214 HB3 PRO 33 HB3 PRO 33 -5.543 33.915 11.368 215 HG2 PRO 33 HG2 PRO 33 -5.658 33.312 8.438 216 HG3 PRO 33 HG3 PRO 33 -5.135 34.796 9.255 217 HD2 PRO 33 HD2 PRO 33 -3.385 32.967 8.295 218 HD3 PRO 33 HD3 PRO 33 -3.049 33.943 9.739 219 H ASP 34 H ASP 34 -4.603 30.418 8.818 220 HA ASP 34 HA ASP 34 -7.227 29.153 8.790 221 HB2 ASP 34 HB2 ASP 34 -5.817 30.042 6.738 222 HB3 ASP 34 HB3 ASP 34 -5.075 28.448 6.840 223 H CYS 35 H CYS 35 -3.817 28.114 8.767 224 HA CYS 35 HA CYS 35 -4.686 25.554 9.935 225 HB2 CYS 35 HB2 CYS 35 -2.434 24.723 9.083 226 HB3 CYS 35 HB3 CYS 35 -3.646 25.089 7.861 227 HG CYS 35 HG CYS 35 -2.508 27.651 7.315 228 H GLY 36 H GLY 36 -2.160 28.043 10.055 229 HA2 GLY 36 HA2 GLY 36 -1.440 28.909 12.189 230 HA3 GLY 36 HA3 GLY 36 -1.728 27.319 12.879 231 H GLN 37 H GLN 37 -0.176 27.493 9.804 232 HA GLN 37 HA GLN 37 2.216 26.321 10.926 233 HB2 GLN 37 HB2 GLN 37 1.518 27.002 8.065 234 HB3 GLN 37 HB3 GLN 37 2.924 26.079 8.578 235 HG2 GLN 37 HG2 GLN 37 0.317 25.074 9.507 236 HG3 GLN 37 HG3 GLN 37 0.616 24.974 7.772 237 HE21 GLN 37 HE21 GLN 37 0.361 22.841 9.734 238 HE22 GLN 37 HE22 GLN 37 1.832 21.938 9.660 239 H GLU 38 H GLU 38 4.344 27.134 10.605 240 HA GLU 38 HA GLU 38 4.524 29.971 10.973 241 HB2 GLU 38 HB2 GLU 38 6.290 27.655 11.245 242 HB3 GLU 38 HB3 GLU 38 7.112 29.080 10.627 243 HG2 GLU 38 HG2 GLU 38 7.381 29.537 12.805 244 HG3 GLU 38 HG3 GLU 38 5.749 30.186 12.657 245 H ILE 39 H ILE 39 4.426 31.355 9.340 246 HA ILE 39 HA ILE 39 5.472 30.547 6.717 247 HB ILE 39 HB ILE 39 3.753 32.953 7.301 248 HG12 ILE 39 HG12 ILE 39 2.901 30.181 6.436 249 HG13 ILE 39 HG13 ILE 39 2.549 30.935 7.987 250 HG21 ILE 39 HG21 ILE 39 3.797 31.549 4.689 251 HG22 ILE 39 HG22 ILE 39 3.609 33.265 5.052 252 HG23 ILE 39 HG23 ILE 39 5.205 32.518 5.124 253 HD11 ILE 39 HD11 ILE 39 1.619 32.038 5.352 254 HD12 ILE 39 HD12 ILE 39 0.668 30.943 6.354 255 HD13 ILE 39 HD13 ILE 39 1.117 32.534 6.968 256 H SER 40 H SER 40 7.494 31.163 6.350 257 HA SER 40 HA SER 40 8.411 33.736 7.445 258 HB2 SER 40 HB2 SER 40 10.694 32.845 7.219 259 HB3 SER 40 HB3 SER 40 9.697 31.790 8.220 260 HG SER 40 HG SER 40 10.336 30.302 6.880 261 H ARG 41 H ARG 41 8.575 35.350 6.051 262 HA ARG 41 HA ARG 41 9.122 34.721 3.224 263 HB2 ARG 41 HB2 ARG 41 7.381 36.871 4.427 264 HB3 ARG 41 HB3 ARG 41 7.906 36.897 2.749 265 HG2 ARG 41 HG2 ARG 41 6.388 35.384 2.136 266 HG3 ARG 41 HG3 ARG 41 6.708 34.362 3.538 267 HD2 ARG 41 HD2 ARG 41 4.680 34.994 4.238 268 HD3 ARG 41 HD3 ARG 41 5.457 36.519 4.662 269 HE ARG 41 HE ARG 41 3.660 36.031 2.446 270 HH11 ARG 41 HH11 ARG 41 6.024 38.149 3.875 271 HH12 ARG 41 HH12 ARG 41 5.493 39.546 3.000 272 HH21 ARG 41 HH21 ARG 41 2.951 37.863 1.287 273 HH22 ARG 41 HH22 ARG 41 3.744 39.383 1.529 274 H CYS 42 H CYS 42 10.598 35.982 2.123 275 HA CYS 42 HA CYS 42 12.566 37.299 3.755 276 HB2 CYS 42 HB2 CYS 42 12.938 35.840 1.637 277 HB3 CYS 42 HB3 CYS 42 12.572 37.316 0.751 278 HG CYS 42 HG CYS 42 14.771 38.669 1.356 279 H SER 43 H SER 43 13.417 39.457 3.216 280 HA SER 43 HA SER 43 11.544 41.455 3.484 281 HB2 SER 43 HB2 SER 43 14.303 41.651 2.253 282 HB3 SER 43 HB3 SER 43 13.342 43.027 2.794 283 HG SER 43 HG SER 43 13.313 41.655 4.871 284 H LYS 44 H LYS 44 12.961 40.166 0.519 285 HA LYS 44 HA LYS 44 12.015 42.003 -1.322 286 HB2 LYS 44 HB2 LYS 44 12.346 39.013 -1.612 287 HB3 LYS 44 HB3 LYS 44 12.072 40.112 -2.958 288 HG2 LYS 44 HG2 LYS 44 14.390 40.434 -1.080 289 HG3 LYS 44 HG3 LYS 44 14.464 39.402 -2.511 290 HD2 LYS 44 HD2 LYS 44 13.911 41.320 -3.924 291 HD3 LYS 44 HD3 LYS 44 13.822 42.352 -2.495 292 HE2 LYS 44 HE2 LYS 44 16.177 41.939 -2.035 293 HE3 LYS 44 HE3 LYS 44 16.273 40.856 -3.422 294 HZ1 LYS 44 HZ1 LYS 44 16.098 43.780 -3.355 295 HZ2 LYS 44 HZ2 LYS 44 17.049 42.779 -4.334 296 HZ3 LYS 44 HZ3 LYS 44 15.401 42.969 -4.666 297 H CYS 45 H CYS 45 10.332 39.370 0.273 298 HA CYS 45 HA CYS 45 8.052 39.218 -1.316 299 HB2 CYS 45 HB2 CYS 45 8.894 37.952 0.931 300 HB3 CYS 45 HB3 CYS 45 7.622 38.969 1.597 301 HG CYS 45 HG CYS 45 6.823 37.216 -1.169 302 H ARG 46 H ARG 46 9.079 41.674 0.870 303 HA ARG 46 HA ARG 46 6.754 42.849 1.728 304 HB2 ARG 46 HB2 ARG 46 9.369 44.057 0.855 305 HB3 ARG 46 HB3 ARG 46 8.057 45.052 1.471 306 HG2 ARG 46 HG2 ARG 46 8.101 43.870 3.578 307 HG3 ARG 46 HG3 ARG 46 9.340 42.773 2.963 308 HD2 ARG 46 HD2 ARG 46 10.320 44.503 4.376 309 HD3 ARG 46 HD3 ARG 46 10.882 44.649 2.711 310 HE ARG 46 HE ARG 46 8.668 46.306 2.982 311 HH11 ARG 46 HH11 ARG 46 11.890 46.038 4.273 312 HH12 ARG 46 HH12 ARG 46 12.067 47.742 4.537 313 HH21 ARG 46 HH21 ARG 46 8.888 48.551 3.325 314 HH22 ARG 46 HH22 ARG 46 10.358 49.170 3.998 315 H LYS 47 H LYS 47 8.203 42.983 -1.469 316 HA LYS 47 HA LYS 47 6.381 44.965 -2.467 317 HB2 LYS 47 HB2 LYS 47 8.741 44.460 -3.329 318 HB3 LYS 47 HB3 LYS 47 8.026 43.072 -4.139 319 HG2 LYS 47 HG2 LYS 47 8.051 44.711 -5.778 320 HG3 LYS 47 HG3 LYS 47 6.396 44.767 -5.169 321 HD2 LYS 47 HD2 LYS 47 6.973 47.009 -5.244 322 HD3 LYS 47 HD3 LYS 47 7.319 46.588 -3.565 323 HE2 LYS 47 HE2 LYS 47 9.180 47.828 -4.300 324 HE3 LYS 47 HE3 LYS 47 9.700 46.144 -4.320 325 HZ1 LYS 47 HZ1 LYS 47 9.092 46.157 -6.744 326 HZ2 LYS 47 HZ2 LYS 47 8.949 47.839 -6.630 327 HZ3 LYS 47 HZ3 LYS 47 10.437 47.095 -6.326 328 H GLN 48 H GLN 48 6.585 41.454 -2.497 329 HA GLN 48 HA GLN 48 4.318 41.162 -4.257 330 HB2 GLN 48 HB2 GLN 48 6.170 39.312 -2.830 331 HB3 GLN 48 HB3 GLN 48 4.605 38.690 -3.336 332 HG2 GLN 48 HG2 GLN 48 5.956 38.155 -5.120 333 HG3 GLN 48 HG3 GLN 48 5.223 39.671 -5.642 334 HE21 GLN 48 HE21 GLN 48 8.100 38.315 -4.116 335 HE22 GLN 48 HE22 GLN 48 9.198 39.511 -4.708 336 H SER 49 H SER 49 4.560 42.114 -1.152 337 HA SER 49 HA SER 49 2.777 40.578 0.317 338 HB2 SER 49 HB2 SER 49 3.995 42.240 1.486 339 HB3 SER 49 HB3 SER 49 3.436 43.520 0.410 340 HG SER 49 HG SER 49 2.410 43.092 2.647 341 H ASN 50 H ASN 50 2.179 42.858 -2.230 342 HA ASN 50 HA ASN 50 -0.440 43.599 -1.794 343 HB2 ASN 50 HB2 ASN 50 0.956 44.447 -3.647 344 HB3 ASN 50 HB3 ASN 50 0.811 42.890 -4.457 345 HD21 ASN 50 HD21 ASN 50 -0.868 42.552 -5.757 346 HD22 ASN 50 HD22 ASN 50 -2.225 43.608 -5.926 347 H LEU 51 H LEU 51 0.827 40.525 -2.853 348 HA LEU 51 HA LEU 51 -1.755 39.294 -2.418 349 HB2 LEU 51 HB2 LEU 51 -1.393 40.109 -4.914 350 HB3 LEU 51 HB3 LEU 51 -0.486 38.601 -5.015 351 HG LEU 51 HG LEU 51 -2.501 37.366 -4.325 352 HD11 LEU 51 HD11 LEU 51 -3.659 38.981 -3.015 353 HD12 LEU 51 HD12 LEU 51 -3.757 40.102 -4.373 354 HD13 LEU 51 HD13 LEU 51 -4.678 38.598 -4.403 355 HD21 LEU 51 HD21 LEU 51 -1.888 38.277 -6.776 356 HD22 LEU 51 HD22 LEU 51 -3.276 37.242 -6.443 357 HD23 LEU 51 HD23 LEU 51 -3.491 38.987 -6.585 358 H TYR 52 H TYR 52 -1.282 37.648 -1.133 359 HA TYR 52 HA TYR 52 1.075 36.001 -1.768 360 HB2 TYR 52 HB2 TYR 52 1.667 35.810 0.509 361 HB3 TYR 52 HB3 TYR 52 1.328 37.521 0.272 362 HD1 TYR 52 HD1 TYR 52 -1.221 38.175 0.742 363 HD2 TYR 52 HD2 TYR 52 0.781 34.797 2.381 364 HE1 TYR 52 HE1 TYR 52 -2.847 38.114 2.586 365 HE2 TYR 52 HE2 TYR 52 -0.840 34.726 4.229 366 HH TYR 52 HH TYR 52 -2.474 35.896 5.291 367 H GLU 53 H GLU 53 0.924 33.837 -0.512 368 HA GLU 53 HA GLU 53 -1.743 32.856 -0.040 369 HB2 GLU 53 HB2 GLU 53 -1.738 32.702 -2.447 370 HB3 GLU 53 HB3 GLU 53 -0.166 31.916 -2.438 371 HG2 GLU 53 HG2 GLU 53 -1.204 30.017 -1.201 372 HG3 GLU 53 HG3 GLU 53 -2.770 30.788 -1.446 373 H CYS 54 H CYS 54 -1.573 31.529 1.631 374 HA CYS 54 HA CYS 54 0.846 30.643 2.705 375 HB2 CYS 54 HB2 CYS 54 -1.268 30.858 3.983 376 HB3 CYS 54 HB3 CYS 54 -1.900 29.450 3.138 377 HG CYS 54 HG CYS 54 1.030 28.983 4.723 378 HA PRO 55 HA PRO 55 1.596 27.339 -0.233 379 HB2 PRO 55 HB2 PRO 55 4.072 26.744 0.707 380 HB3 PRO 55 HB3 PRO 55 3.754 28.120 -0.357 381 HG2 PRO 55 HG2 PRO 55 4.083 28.063 2.618 382 HG3 PRO 55 HG3 PRO 55 4.736 29.218 1.442 383 HD2 PRO 55 HD2 PRO 55 2.546 29.748 2.943 384 HD3 PRO 55 HD3 PRO 55 2.754 30.386 1.299 385 H ASP 56 H ASP 56 1.233 27.259 3.141 386 HA ASP 56 HA ASP 56 1.790 24.446 3.471 387 HB2 ASP 56 HB2 ASP 56 1.440 26.686 5.190 388 HB3 ASP 56 HB3 ASP 56 0.238 25.477 5.635 389 H CYS 57 H CYS 57 -1.136 26.473 3.684 390 HA CYS 57 HA CYS 57 -2.732 24.061 3.131 391 HB2 CYS 57 HB2 CYS 57 -4.608 25.223 4.230 392 HB3 CYS 57 HB3 CYS 57 -3.232 25.035 5.311 393 HG CYS 57 HG CYS 57 -4.881 27.690 4.858 394 H GLY 58 H GLY 58 -1.392 26.005 1.253 395 HA2 GLY 58 HA2 GLY 58 -1.884 27.219 -0.647 396 HA3 GLY 58 HA3 GLY 58 -3.116 25.983 -0.853 397 H PHE 59 H PHE 59 -2.909 28.511 1.620 398 HA PHE 59 HA PHE 59 -5.612 29.347 0.917 399 HB2 PHE 59 HB2 PHE 59 -5.280 28.984 3.257 400 HB3 PHE 59 HB3 PHE 59 -3.820 29.967 3.266 401 HD1 PHE 59 HD1 PHE 59 -7.181 30.642 1.818 402 HD2 PHE 59 HD2 PHE 59 -4.232 31.740 4.684 403 HE1 PHE 59 HE1 PHE 59 -8.518 32.614 2.433 404 HE2 PHE 59 HE2 PHE 59 -5.564 33.713 5.304 405 HZ PHE 59 HZ PHE 59 -7.711 34.152 4.179 406 H MET 60 H MET 60 -5.652 30.733 -0.749 407 HA MET 60 HA MET 60 -3.579 32.669 -1.195 408 HB2 MET 60 HB2 MET 60 -6.286 32.419 -2.518 409 HB3 MET 60 HB3 MET 60 -4.933 33.381 -3.099 410 HG2 MET 60 HG2 MET 60 -3.862 31.603 -3.964 411 HG3 MET 60 HG3 MET 60 -4.372 30.527 -2.666 412 HE1 MET 60 HE1 MET 60 -6.279 29.455 -2.370 413 HE2 MET 60 HE2 MET 60 -7.812 29.929 -3.101 414 HE3 MET 60 HE3 MET 60 -6.932 28.533 -3.724 415 H GLY 61 H GLY 61 -3.496 34.734 -0.548 416 HA2 GLY 61 HA2 GLY 61 -5.952 36.047 0.369 417 HA3 GLY 61 HA3 GLY 61 -4.616 35.912 1.502 418 HA PRO 62 HA PRO 62 -4.297 39.786 -1.203 419 HB2 PRO 62 HB2 PRO 62 -4.774 41.613 0.748 420 HB3 PRO 62 HB3 PRO 62 -6.057 40.914 -0.248 421 HG2 PRO 62 HG2 PRO 62 -5.195 40.177 2.523 422 HG3 PRO 62 HG3 PRO 62 -6.834 40.350 1.870 423 HD2 PRO 62 HD2 PRO 62 -5.644 37.940 2.199 424 HD3 PRO 62 HD3 PRO 62 -6.800 38.263 0.892 Start of MODEL 10 1 H1 GLY 1 H GLY 1 19.979 7.888 -2.647 2 HA2 GLY 1 HA2 GLY 1 22.515 7.348 -1.574 3 HA3 GLY 1 HA3 GLY 1 22.283 9.090 -1.573 4 H ALA 2 H ALA 2 20.022 6.413 -0.960 5 HA ALA 2 HA ALA 2 18.562 6.041 0.751 6 HB1 ALA 2 HB1 ALA 2 20.816 5.582 1.806 7 HB2 ALA 2 HB2 ALA 2 20.692 7.180 2.543 8 HB3 ALA 2 HB3 ALA 2 19.494 5.941 2.918 9 H MET 3 H MET 3 18.130 8.460 -0.573 10 HA MET 3 HA MET 3 17.652 10.481 1.464 11 HB2 MET 3 HB2 MET 3 17.080 11.950 -0.331 12 HB3 MET 3 HB3 MET 3 18.513 11.057 -0.823 13 HG2 MET 3 HG2 MET 3 17.072 9.534 -2.125 14 HG3 MET 3 HG3 MET 3 15.683 10.527 -1.693 15 HE1 MET 3 HE1 MET 3 18.050 10.672 -5.239 16 HE2 MET 3 HE2 MET 3 17.358 9.434 -4.191 17 HE3 MET 3 HE3 MET 3 16.303 10.434 -5.190 18 H GLY 4 H GLY 4 15.675 11.089 2.233 19 HA2 GLY 4 HA2 GLY 4 13.321 9.656 1.183 20 HA3 GLY 4 HA3 GLY 4 13.649 9.688 2.909 21 H SER 5 H SER 5 13.472 12.032 0.223 22 HA SER 5 HA SER 5 12.281 13.980 2.035 23 HB2 SER 5 HB2 SER 5 14.024 14.843 0.619 24 HB3 SER 5 HB3 SER 5 13.249 14.186 -0.823 25 HG SER 5 HG SER 5 12.488 16.172 -0.883 26 H GLU 6 H GLU 6 11.487 12.146 -0.871 27 HA GLU 6 HA GLU 6 8.907 13.348 -1.198 28 HB2 GLU 6 HB2 GLU 6 8.547 11.605 -2.891 29 HB3 GLU 6 HB3 GLU 6 10.091 12.414 -3.114 30 HG2 GLU 6 HG2 GLU 6 11.038 10.443 -1.724 31 HG3 GLU 6 HG3 GLU 6 9.531 9.641 -2.165 32 H SER 7 H SER 7 10.158 10.432 0.320 33 HA SER 7 HA SER 7 7.723 9.119 0.775 34 HB2 SER 7 HB2 SER 7 10.096 8.207 1.075 35 HB3 SER 7 HB3 SER 7 10.083 8.996 2.652 36 HG SER 7 HG SER 7 9.156 6.635 2.102 37 H GLU 8 H GLU 8 9.594 11.246 2.939 38 HA GLU 8 HA GLU 8 7.098 12.089 4.196 39 HB2 GLU 8 HB2 GLU 8 9.446 10.952 5.723 40 HB3 GLU 8 HB3 GLU 8 8.102 11.810 6.464 41 HG2 GLU 8 HG2 GLU 8 6.658 10.011 5.244 42 HG3 GLU 8 HG3 GLU 8 8.169 9.104 5.226 43 H GLN 9 H GLN 9 7.528 13.928 5.770 44 HA GLN 9 HA GLN 9 9.869 15.516 4.994 45 HB2 GLN 9 HB2 GLN 9 7.090 16.684 5.133 46 HB3 GLN 9 HB3 GLN 9 8.560 17.481 4.589 47 HG2 GLN 9 HG2 GLN 9 7.948 16.944 2.530 48 HG3 GLN 9 HG3 GLN 9 8.361 15.279 2.937 49 HE21 GLN 9 HE21 GLN 9 5.670 17.496 3.619 50 HE22 GLN 9 HE22 GLN 9 4.422 16.388 3.173 51 H ARG 10 H ARG 10 9.474 17.780 6.376 52 HA ARG 10 HA ARG 10 8.963 16.933 9.148 53 HB2 ARG 10 HB2 ARG 10 11.275 18.614 8.162 54 HB3 ARG 10 HB3 ARG 10 10.887 18.335 9.854 55 HG2 ARG 10 HG2 ARG 10 11.729 16.267 7.836 56 HG3 ARG 10 HG3 ARG 10 12.683 16.885 9.186 57 HD2 ARG 10 HD2 ARG 10 10.485 16.053 10.500 58 HD3 ARG 10 HD3 ARG 10 10.485 14.916 9.153 59 HE ARG 10 HE ARG 10 12.254 13.861 10.126 60 HH11 ARG 10 HH11 ARG 10 12.079 17.107 11.373 61 HH12 ARG 10 HH12 ARG 10 13.360 16.875 12.517 62 HH21 ARG 10 HH21 ARG 10 13.941 13.544 11.627 63 HH22 ARG 10 HH22 ARG 10 14.419 14.849 12.660 64 H HIS 11 H HIS 11 9.998 19.992 7.661 65 HA HIS 11 HA HIS 11 7.654 21.277 8.892 66 HB2 HIS 11 HB2 HIS 11 10.425 22.263 8.280 67 HB3 HIS 11 HB3 HIS 11 9.094 23.401 8.474 68 HD1 HIS 11 HD1 HIS 11 11.467 23.394 10.433 69 HD2 HIS 11 HD2 HIS 11 7.925 21.313 11.049 70 HE1 HIS 11 HE1 HIS 11 11.310 23.056 12.920 71 H ALA 12 H ALA 12 6.089 21.912 7.577 72 HA ALA 12 HA ALA 12 6.571 22.030 4.708 73 HB1 ALA 12 HB1 ALA 12 4.287 21.813 4.413 74 HB2 ALA 12 HB2 ALA 12 4.562 20.901 5.897 75 HB3 ALA 12 HB3 ALA 12 3.911 22.538 5.976 76 H HIS 13 H HIS 13 7.888 24.065 5.992 77 HA HIS 13 HA HIS 13 6.228 26.456 5.725 78 HB2 HIS 13 HB2 HIS 13 8.782 25.800 7.078 79 HB3 HIS 13 HB3 HIS 13 8.641 27.432 6.431 80 HD1 HIS 13 HD1 HIS 13 8.648 28.316 8.900 81 HD2 HIS 13 HD2 HIS 13 5.400 25.924 7.906 82 HE1 HIS 13 HE1 HIS 13 6.962 28.676 10.732 83 H GLN 14 H GLN 14 6.085 27.345 3.779 84 HA GLN 14 HA GLN 14 8.520 27.603 2.166 85 HB2 GLN 14 HB2 GLN 14 5.994 26.242 1.412 86 HB3 GLN 14 HB3 GLN 14 6.728 27.273 0.191 87 HG2 GLN 14 HG2 GLN 14 8.587 25.946 -0.014 88 HG3 GLN 14 HG3 GLN 14 8.419 25.274 1.607 89 HE21 GLN 14 HE21 GLN 14 8.869 23.309 0.237 90 HE22 GLN 14 HE22 GLN 14 7.497 22.470 -0.393 91 H CYS 15 H CYS 15 8.188 29.198 0.344 92 HA CYS 15 HA CYS 15 7.188 31.629 1.432 93 HB2 CYS 15 HB2 CYS 15 9.152 31.331 -0.182 94 HB3 CYS 15 HB3 CYS 15 7.943 31.188 -1.453 95 HG CYS 15 HG CYS 15 8.785 33.747 -1.710 96 H VAL 16 H VAL 16 5.362 32.767 0.981 97 HA VAL 16 HA VAL 16 3.125 31.321 -0.056 98 HB VAL 16 HB VAL 16 1.820 33.314 0.411 99 HG11 VAL 16 HG11 VAL 16 2.735 31.754 2.253 100 HG12 VAL 16 HG12 VAL 16 3.762 33.122 2.683 101 HG13 VAL 16 HG13 VAL 16 2.007 33.288 2.728 102 HG21 VAL 16 HG21 VAL 16 4.514 34.613 0.671 103 HG22 VAL 16 HG22 VAL 16 3.138 35.107 -0.315 104 HG23 VAL 16 HG23 VAL 16 3.080 35.296 1.438 105 H SER 17 H SER 17 5.401 33.585 -1.354 106 HA SER 17 HA SER 17 3.796 34.348 -3.612 107 HB2 SER 17 HB2 SER 17 5.617 35.672 -4.281 108 HB3 SER 17 HB3 SER 17 5.731 35.675 -2.521 109 HG SER 17 HG SER 17 7.754 35.243 -3.396 110 H CYS 18 H CYS 18 6.544 32.169 -3.076 111 HA CYS 18 HA CYS 18 5.863 30.834 -5.610 112 HB2 CYS 18 HB2 CYS 18 8.582 31.553 -4.527 113 HB3 CYS 18 HB3 CYS 18 8.366 30.287 -5.730 114 HG CYS 18 HG CYS 18 6.919 33.207 -6.519 115 H GLY 19 H GLY 19 8.236 30.131 -3.057 116 HA2 GLY 19 HA2 GLY 19 7.075 28.340 -1.461 117 HA3 GLY 19 HA3 GLY 19 7.245 27.396 -2.934 118 H ILE 20 H ILE 20 9.493 29.817 -1.681 119 HA ILE 20 HA ILE 20 11.774 28.273 -2.123 120 HB ILE 20 HB ILE 20 11.399 30.528 -0.148 121 HG12 ILE 20 HG12 ILE 20 12.879 31.448 -2.294 122 HG13 ILE 20 HG13 ILE 20 11.687 30.400 -3.056 123 HG21 ILE 20 HG21 ILE 20 13.903 29.260 -1.245 124 HG22 ILE 20 HG22 ILE 20 13.863 30.781 -0.352 125 HG23 ILE 20 HG23 ILE 20 13.366 29.283 0.435 126 HD11 ILE 20 HD11 ILE 20 9.967 31.772 -2.559 127 HD12 ILE 20 HD12 ILE 20 10.681 32.300 -1.035 128 HD13 ILE 20 HD13 ILE 20 11.255 32.977 -2.558 129 H ASN 21 H ASN 21 13.045 26.982 -0.833 130 HA ASN 21 HA ASN 21 11.696 25.602 1.291 131 HB2 ASN 21 HB2 ASN 21 13.873 24.318 1.424 132 HB3 ASN 21 HB3 ASN 21 13.066 24.273 -0.141 133 HD21 ASN 21 HD21 ASN 21 15.936 24.851 1.458 134 HD22 ASN 21 HD22 ASN 21 16.803 25.617 0.176 135 H ILE 22 H ILE 22 11.597 27.869 2.400 136 HA ILE 22 HA ILE 22 14.004 28.361 3.997 137 HB ILE 22 HB ILE 22 12.807 30.410 4.760 138 HG12 ILE 22 HG12 ILE 22 10.797 29.649 2.630 139 HG13 ILE 22 HG13 ILE 22 10.510 29.540 4.363 140 HG21 ILE 22 HG21 ILE 22 13.824 31.474 3.093 141 HG22 ILE 22 HG22 ILE 22 14.084 29.899 2.342 142 HG23 ILE 22 HG23 ILE 22 12.668 30.858 1.911 143 HD11 ILE 22 HD11 ILE 22 9.921 31.667 4.448 144 HD12 ILE 22 HD12 ILE 22 11.423 32.168 3.671 145 HD13 ILE 22 HD13 ILE 22 10.030 31.716 2.689 146 H ALA 23 H ALA 23 12.474 26.008 4.509 147 HA ALA 23 HA ALA 23 10.668 26.298 6.647 148 HB1 ALA 23 HB1 ALA 23 10.466 24.199 5.848 149 HB2 ALA 23 HB2 ALA 23 12.172 24.083 5.416 150 HB3 ALA 23 HB3 ALA 23 11.666 23.836 7.087 151 H GLY 24 H GLY 24 11.061 27.098 8.599 152 HA2 GLY 24 HA2 GLY 24 12.073 27.464 10.631 153 HA3 GLY 24 HA3 GLY 24 13.131 26.109 10.268 154 H MET 25 H MET 25 13.071 28.624 7.944 155 HA MET 25 HA MET 25 15.819 29.289 8.566 156 HB2 MET 25 HB2 MET 25 13.959 29.832 6.291 157 HB3 MET 25 HB3 MET 25 15.374 30.856 6.492 158 HG2 MET 25 HG2 MET 25 15.481 27.857 6.301 159 HG3 MET 25 HG3 MET 25 15.679 28.946 4.930 160 HE1 MET 25 HE1 MET 25 18.069 28.193 8.563 161 HE2 MET 25 HE2 MET 25 16.811 27.233 7.784 162 HE3 MET 25 HE3 MET 25 18.498 27.022 7.315 163 H SER 26 H SER 26 16.285 31.792 8.076 164 HA SER 26 HA SER 26 14.849 33.208 10.181 165 HB2 SER 26 HB2 SER 26 17.458 33.079 9.819 166 HB3 SER 26 HB3 SER 26 17.157 34.404 8.694 167 HG SER 26 HG SER 26 16.658 34.305 11.474 168 H ALA 27 H ALA 27 13.266 32.845 7.979 169 HA ALA 27 HA ALA 27 13.349 35.320 6.431 170 HB1 ALA 27 HB1 ALA 27 11.088 33.779 5.730 171 HB2 ALA 27 HB2 ALA 27 12.571 34.023 4.809 172 HB3 ALA 27 HB3 ALA 27 12.441 32.665 5.927 173 H ALA 28 H ALA 28 11.214 36.432 6.056 174 HA ALA 28 HA ALA 28 10.209 37.451 8.450 175 HB1 ALA 28 HB1 ALA 28 9.269 38.949 7.101 176 HB2 ALA 28 HB2 ALA 28 9.946 38.044 5.747 177 HB3 ALA 28 HB3 ALA 28 8.303 37.713 6.295 178 H THR 29 H THR 29 9.342 36.056 9.897 179 HA THR 29 HA THR 29 7.159 34.304 8.991 180 HB THR 29 HB THR 29 8.271 34.012 11.732 181 HG1 THR 29 HG1 THR 29 9.679 33.364 9.347 182 HG21 THR 29 HG21 THR 29 7.910 31.764 9.828 183 HG22 THR 29 HG22 THR 29 7.527 31.865 11.547 184 HG23 THR 29 HG23 THR 29 6.459 32.614 10.360 185 H PHE 30 H PHE 30 5.139 34.502 9.803 186 HA PHE 30 HA PHE 30 4.638 36.132 12.149 187 HB2 PHE 30 HB2 PHE 30 3.010 37.585 10.971 188 HB3 PHE 30 HB3 PHE 30 4.661 37.825 10.408 189 HD1 PHE 30 HD1 PHE 30 5.367 36.698 8.254 190 HD2 PHE 30 HD2 PHE 30 1.305 37.018 9.485 191 HE1 PHE 30 HE1 PHE 30 4.637 36.293 5.939 192 HE2 PHE 30 HE2 PHE 30 0.569 36.612 7.173 193 HZ PHE 30 HZ PHE 30 2.236 36.248 5.396 194 H LYS 31 H LYS 31 2.121 36.285 12.443 195 HA LYS 31 HA LYS 31 1.031 33.607 11.873 196 HB2 LYS 31 HB2 LYS 31 1.374 33.831 14.226 197 HB3 LYS 31 HB3 LYS 31 0.646 35.432 14.245 198 HG2 LYS 31 HG2 LYS 31 -1.528 34.498 13.783 199 HG3 LYS 31 HG3 LYS 31 -0.831 32.885 13.612 200 HD2 LYS 31 HD2 LYS 31 -0.605 32.600 15.854 201 HD3 LYS 31 HD3 LYS 31 -0.278 34.310 16.147 202 HE2 LYS 31 HE2 LYS 31 -2.843 34.455 15.350 203 HE3 LYS 31 HE3 LYS 31 -2.843 32.845 16.070 204 HZ1 LYS 31 HZ1 LYS 31 -2.938 35.324 17.367 205 HZ2 LYS 31 HZ2 LYS 31 -2.951 33.779 18.057 206 HZ3 LYS 31 HZ3 LYS 31 -1.482 34.575 17.795 207 H CYS 32 H CYS 32 -0.713 33.513 10.626 208 HA CYS 32 HA CYS 32 -1.923 35.824 9.544 209 HB2 CYS 32 HB2 CYS 32 -1.781 33.539 8.463 210 HB3 CYS 32 HB3 CYS 32 -3.087 33.038 9.530 211 HG CYS 32 HG CYS 32 -4.844 33.629 7.757 212 HA PRO 33 HA PRO 33 -4.736 36.719 12.861 213 HB2 PRO 33 HB2 PRO 33 -6.090 38.695 11.583 214 HB3 PRO 33 HB3 PRO 33 -4.477 38.924 12.270 215 HG2 PRO 33 HG2 PRO 33 -5.270 38.392 9.432 216 HG3 PRO 33 HG3 PRO 33 -4.069 39.534 10.063 217 HD2 PRO 33 HD2 PRO 33 -3.386 37.134 9.013 218 HD3 PRO 33 HD3 PRO 33 -2.466 37.899 10.326 219 H ASP 34 H ASP 34 -5.452 35.349 9.859 220 HA ASP 34 HA ASP 34 -8.332 35.287 10.262 221 HB2 ASP 34 HB2 ASP 34 -7.071 35.494 7.990 222 HB3 ASP 34 HB3 ASP 34 -6.891 33.747 8.127 223 H CYS 35 H CYS 35 -5.701 32.907 9.917 224 HA CYS 35 HA CYS 35 -7.373 30.986 11.397 225 HB2 CYS 35 HB2 CYS 35 -5.829 29.257 10.329 226 HB3 CYS 35 HB3 CYS 35 -6.967 30.066 9.258 227 HG CYS 35 HG CYS 35 -4.587 29.752 7.865 228 H GLY 36 H GLY 36 -4.049 32.151 10.959 229 HA2 GLY 36 HA2 GLY 36 -2.682 32.668 12.868 230 HA3 GLY 36 HA3 GLY 36 -3.529 31.415 13.762 231 H GLN 37 H GLN 37 -2.595 30.696 10.529 232 HA GLN 37 HA GLN 37 -0.806 28.637 11.483 233 HB2 GLN 37 HB2 GLN 37 -1.540 29.386 8.647 234 HB3 GLN 37 HB3 GLN 37 -0.713 27.918 9.153 235 HG2 GLN 37 HG2 GLN 37 -3.292 28.393 10.465 236 HG3 GLN 37 HG3 GLN 37 -3.376 28.124 8.725 237 HE21 GLN 37 HE21 GLN 37 -1.491 26.796 11.428 238 HE22 GLN 37 HE22 GLN 37 -1.791 25.138 11.044 239 H GLU 38 H GLU 38 1.321 28.832 11.679 240 HA GLU 38 HA GLU 38 2.745 31.164 11.323 241 HB2 GLU 38 HB2 GLU 38 3.347 28.853 12.469 242 HB3 GLU 38 HB3 GLU 38 4.171 28.571 10.942 243 HG2 GLU 38 HG2 GLU 38 5.691 30.272 11.292 244 HG3 GLU 38 HG3 GLU 38 4.651 31.101 12.450 245 H ILE 39 H ILE 39 3.063 32.280 9.521 246 HA ILE 39 HA ILE 39 3.343 30.852 6.975 247 HB ILE 39 HB ILE 39 3.065 33.831 7.302 248 HG12 ILE 39 HG12 ILE 39 0.866 31.767 7.054 249 HG13 ILE 39 HG13 ILE 39 1.170 32.804 8.443 250 HG21 ILE 39 HG21 ILE 39 3.577 32.219 5.108 251 HG22 ILE 39 HG22 ILE 39 1.856 32.583 4.986 252 HG23 ILE 39 HG23 ILE 39 3.031 33.895 5.076 253 HD11 ILE 39 HD11 ILE 39 0.881 34.466 6.174 254 HD12 ILE 39 HD12 ILE 39 -0.445 33.304 6.173 255 HD13 ILE 39 HD13 ILE 39 -0.171 34.329 7.582 256 H SER 40 H SER 40 5.173 30.891 5.794 257 HA SER 40 HA SER 40 7.448 32.406 6.897 258 HB2 SER 40 HB2 SER 40 8.914 30.674 6.147 259 HB3 SER 40 HB3 SER 40 7.575 29.875 6.970 260 HG SER 40 HG SER 40 7.064 28.935 5.166 261 H ARG 41 H ARG 41 7.928 34.123 5.710 262 HA ARG 41 HA ARG 41 7.617 33.945 2.785 263 HB2 ARG 41 HB2 ARG 41 7.324 36.302 4.646 264 HB3 ARG 41 HB3 ARG 41 7.467 36.476 2.902 265 HG2 ARG 41 HG2 ARG 41 5.455 34.984 2.694 266 HG3 ARG 41 HG3 ARG 41 5.268 35.128 4.443 267 HD2 ARG 41 HD2 ARG 41 5.079 37.281 2.356 268 HD3 ARG 41 HD3 ARG 41 3.853 36.766 3.515 269 HE ARG 41 HE ARG 41 5.893 37.655 5.075 270 HH11 ARG 41 HH11 ARG 41 4.065 39.028 2.450 271 HH12 ARG 41 HH12 ARG 41 4.217 40.656 3.023 272 HH21 ARG 41 HH21 ARG 41 6.100 39.793 5.841 273 HH22 ARG 41 HH22 ARG 41 5.376 41.090 4.952 274 H CYS 42 H CYS 42 9.464 33.885 1.707 275 HA CYS 42 HA CYS 42 11.985 34.287 2.913 276 HB2 CYS 42 HB2 CYS 42 11.268 32.931 0.769 277 HB3 CYS 42 HB3 CYS 42 11.649 34.438 -0.055 278 HG CYS 42 HG CYS 42 13.987 33.236 2.065 279 H SER 43 H SER 43 13.650 35.817 2.056 280 HA SER 43 HA SER 43 12.998 38.441 2.579 281 HB2 SER 43 HB2 SER 43 15.154 39.044 1.689 282 HB3 SER 43 HB3 SER 43 15.316 37.473 2.473 283 HG SER 43 HG SER 43 15.442 38.143 -0.227 284 H LYS 44 H LYS 44 13.167 36.818 -0.566 285 HA LYS 44 HA LYS 44 12.750 38.993 -2.232 286 HB2 LYS 44 HB2 LYS 44 11.722 36.169 -2.570 287 HB3 LYS 44 HB3 LYS 44 11.826 37.370 -3.851 288 HG2 LYS 44 HG2 LYS 44 14.268 36.606 -2.308 289 HG3 LYS 44 HG3 LYS 44 13.680 35.583 -3.620 290 HD2 LYS 44 HD2 LYS 44 14.115 37.171 -5.232 291 HD3 LYS 44 HD3 LYS 44 13.999 38.513 -4.091 292 HE2 LYS 44 HE2 LYS 44 16.260 38.462 -4.383 293 HE3 LYS 44 HE3 LYS 44 16.118 37.327 -3.042 294 HZ1 LYS 44 HZ1 LYS 44 17.510 36.319 -4.629 295 HZ2 LYS 44 HZ2 LYS 44 16.017 35.537 -4.782 296 HZ3 LYS 44 HZ3 LYS 44 16.481 36.705 -5.915 297 H CYS 45 H CYS 45 10.458 37.180 -0.299 298 HA CYS 45 HA CYS 45 8.080 38.097 -1.465 299 HB2 CYS 45 HB2 CYS 45 8.741 36.413 0.623 300 HB3 CYS 45 HB3 CYS 45 7.932 37.748 1.435 301 HG CYS 45 HG CYS 45 5.817 37.418 -0.722 302 H ARG 46 H ARG 46 10.338 39.635 0.660 303 HA ARG 46 HA ARG 46 8.845 41.551 1.939 304 HB2 ARG 46 HB2 ARG 46 11.592 41.789 0.707 305 HB3 ARG 46 HB3 ARG 46 10.892 43.008 1.763 306 HG2 ARG 46 HG2 ARG 46 11.254 40.140 2.584 307 HG3 ARG 46 HG3 ARG 46 12.473 41.388 2.851 308 HD2 ARG 46 HD2 ARG 46 10.123 42.516 3.795 309 HD3 ARG 46 HD3 ARG 46 10.028 40.832 4.309 310 HE ARG 46 HE ARG 46 11.647 41.277 5.847 311 HH11 ARG 46 HH11 ARG 46 11.813 43.687 3.340 312 HH12 ARG 46 HH12 ARG 46 13.040 44.617 4.135 313 HH21 ARG 46 HH21 ARG 46 13.262 42.493 6.903 314 HH22 ARG 46 HH22 ARG 46 13.864 43.936 6.161 315 H LYS 47 H LYS 47 9.857 41.467 -1.424 316 HA LYS 47 HA LYS 47 8.962 44.131 -2.006 317 HB2 LYS 47 HB2 LYS 47 10.766 42.825 -3.251 318 HB3 LYS 47 HB3 LYS 47 9.454 41.933 -4.011 319 HG2 LYS 47 HG2 LYS 47 9.955 43.586 -5.555 320 HG3 LYS 47 HG3 LYS 47 8.558 44.241 -4.697 321 HD2 LYS 47 HD2 LYS 47 10.092 45.544 -3.264 322 HD3 LYS 47 HD3 LYS 47 11.455 44.934 -4.206 323 HE2 LYS 47 HE2 LYS 47 11.087 46.944 -5.247 324 HE3 LYS 47 HE3 LYS 47 10.074 45.884 -6.226 325 HZ1 LYS 47 HZ1 LYS 47 8.180 46.793 -5.419 326 HZ2 LYS 47 HZ2 LYS 47 8.835 47.130 -3.896 327 HZ3 LYS 47 HZ3 LYS 47 9.184 48.139 -5.209 328 H GLN 48 H GLN 48 7.628 40.890 -2.274 329 HA GLN 48 HA GLN 48 5.279 41.780 -3.693 330 HB2 GLN 48 HB2 GLN 48 5.978 39.128 -2.425 331 HB3 GLN 48 HB3 GLN 48 4.513 39.428 -3.351 332 HG2 GLN 48 HG2 GLN 48 7.287 39.782 -4.454 333 HG3 GLN 48 HG3 GLN 48 6.349 38.297 -4.605 334 HE21 GLN 48 HE21 GLN 48 4.011 38.794 -5.404 335 HE22 GLN 48 HE22 GLN 48 3.928 39.807 -6.801 336 H SER 49 H SER 49 6.246 42.179 -0.608 337 HA SER 49 HA SER 49 4.152 41.375 1.021 338 HB2 SER 49 HB2 SER 49 6.349 42.424 1.735 339 HB3 SER 49 HB3 SER 49 5.635 43.988 1.344 340 HG SER 49 HG SER 49 5.261 42.413 3.524 341 H ASN 50 H ASN 50 4.343 44.031 -1.228 342 HA ASN 50 HA ASN 50 2.316 45.689 -0.364 343 HB2 ASN 50 HB2 ASN 50 3.849 46.026 -2.355 344 HB3 ASN 50 HB3 ASN 50 2.768 44.973 -3.263 345 HD21 ASN 50 HD21 ASN 50 3.190 48.076 -1.801 346 HD22 ASN 50 HD22 ASN 50 1.783 48.818 -2.475 347 H LEU 51 H LEU 51 2.096 42.558 -1.886 348 HA LEU 51 HA LEU 51 -0.719 42.423 -1.233 349 HB2 LEU 51 HB2 LEU 51 -0.332 43.399 -3.627 350 HB3 LEU 51 HB3 LEU 51 0.001 41.720 -4.044 351 HG LEU 51 HG LEU 51 -2.302 42.350 -4.567 352 HD11 LEU 51 HD11 LEU 51 -2.165 40.425 -2.252 353 HD12 LEU 51 HD12 LEU 51 -3.403 40.485 -3.507 354 HD13 LEU 51 HD13 LEU 51 -1.749 40.035 -3.921 355 HD21 LEU 51 HD21 LEU 51 -3.613 43.515 -3.194 356 HD22 LEU 51 HD22 LEU 51 -3.280 42.434 -1.841 357 HD23 LEU 51 HD23 LEU 51 -2.184 43.770 -2.192 358 H TYR 52 H TYR 52 -0.469 40.678 0.055 359 HA TYR 52 HA TYR 52 0.795 38.291 -1.121 360 HB2 TYR 52 HB2 TYR 52 1.427 37.582 1.054 361 HB3 TYR 52 HB3 TYR 52 1.842 39.290 0.967 362 HD1 TYR 52 HD1 TYR 52 0.065 40.945 1.910 363 HD2 TYR 52 HD2 TYR 52 0.173 36.796 2.844 364 HE1 TYR 52 HE1 TYR 52 -1.258 41.374 3.939 365 HE2 TYR 52 HE2 TYR 52 -1.151 37.212 4.875 366 HH TYR 52 HH TYR 52 -1.439 39.813 6.381 367 H GLU 53 H GLU 53 -0.096 36.245 0.171 368 HA GLU 53 HA GLU 53 -2.914 36.359 0.753 369 HB2 GLU 53 HB2 GLU 53 -3.115 36.300 -1.630 370 HB3 GLU 53 HB3 GLU 53 -1.908 35.030 -1.761 371 HG2 GLU 53 HG2 GLU 53 -3.434 33.492 -0.593 372 HG3 GLU 53 HG3 GLU 53 -4.651 34.767 -0.553 373 H CYS 54 H CYS 54 -3.157 35.045 2.423 374 HA CYS 54 HA CYS 54 -1.234 33.192 3.275 375 HB2 CYS 54 HB2 CYS 54 -2.911 34.260 4.759 376 HB3 CYS 54 HB3 CYS 54 -4.166 33.280 4.011 377 HG CYS 54 HG CYS 54 -1.578 31.558 5.291 378 HA PRO 55 HA PRO 55 -2.272 29.964 0.344 379 HB2 PRO 55 HB2 PRO 55 -0.227 28.327 1.059 380 HB3 PRO 55 HB3 PRO 55 -0.011 29.731 0.007 381 HG2 PRO 55 HG2 PRO 55 0.531 29.459 2.938 382 HG3 PRO 55 HG3 PRO 55 1.512 30.245 1.687 383 HD2 PRO 55 HD2 PRO 55 -0.082 31.636 3.378 384 HD3 PRO 55 HD3 PRO 55 0.232 32.162 1.711 385 H ASP 56 H ASP 56 -2.297 29.949 3.745 386 HA ASP 56 HA ASP 56 -3.005 27.170 4.062 387 HB2 ASP 56 HB2 ASP 56 -2.081 29.200 5.760 388 HB3 ASP 56 HB3 ASP 56 -3.710 28.835 6.320 389 H CYS 57 H CYS 57 -4.723 30.247 4.622 390 HA CYS 57 HA CYS 57 -7.255 28.796 4.242 391 HB2 CYS 57 HB2 CYS 57 -8.304 30.674 5.481 392 HB3 CYS 57 HB3 CYS 57 -7.100 29.817 6.435 393 HG CYS 57 HG CYS 57 -7.335 32.956 6.112 394 H GLY 58 H GLY 58 -5.405 29.994 2.191 395 HA2 GLY 58 HA2 GLY 58 -5.503 31.352 0.327 396 HA3 GLY 58 HA3 GLY 58 -7.165 30.783 0.274 397 H PHE 59 H PHE 59 -5.622 32.909 2.653 398 HA PHE 59 HA PHE 59 -7.751 34.851 2.226 399 HB2 PHE 59 HB2 PHE 59 -7.296 34.285 4.526 400 HB3 PHE 59 HB3 PHE 59 -5.585 34.649 4.324 401 HD1 PHE 59 HD1 PHE 59 -8.711 36.489 3.449 402 HD2 PHE 59 HD2 PHE 59 -5.015 36.492 5.560 403 HE1 PHE 59 HE1 PHE 59 -9.124 38.807 4.164 404 HE2 PHE 59 HE2 PHE 59 -5.423 38.809 6.279 405 HZ PHE 59 HZ PHE 59 -7.479 39.970 5.580 406 H MET 60 H MET 60 -7.359 36.104 0.490 407 HA MET 60 HA MET 60 -4.710 37.001 -0.184 408 HB2 MET 60 HB2 MET 60 -7.379 37.846 -1.324 409 HB3 MET 60 HB3 MET 60 -5.803 38.180 -2.027 410 HG2 MET 60 HG2 MET 60 -5.566 36.088 -2.846 411 HG3 MET 60 HG3 MET 60 -6.445 35.347 -1.511 412 HE1 MET 60 HE1 MET 60 -6.322 34.701 -4.413 413 HE2 MET 60 HE2 MET 60 -7.833 33.835 -4.136 414 HE3 MET 60 HE3 MET 60 -7.734 35.051 -5.410 415 H GLY 61 H GLY 61 -3.722 38.726 0.626 416 HA2 GLY 61 HA2 GLY 61 -5.369 40.988 1.550 417 HA3 GLY 61 HA3 GLY 61 -4.119 40.326 2.592 418 HA PRO 62 HA PRO 62 -2.413 43.774 -0.108 419 HB2 PRO 62 HB2 PRO 62 -1.669 45.407 1.929 420 HB3 PRO 62 HB3 PRO 62 -3.271 45.469 1.185 421 HG2 PRO 62 HG2 PRO 62 -2.413 44.140 3.727 422 HG3 PRO 62 HG3 PRO 62 -3.868 45.101 3.402 423 HD2 PRO 62 HD2 PRO 62 -3.891 42.394 3.456 424 HD3 PRO 62 HD3 PRO 62 -4.961 43.337 2.399 Start of MODEL 11 1 H1 GLY 1 H GLY 1 12.495 12.309 -10.355 2 HA2 GLY 1 HA2 GLY 1 12.165 12.055 -8.090 3 HA3 GLY 1 HA3 GLY 1 11.513 13.687 -8.062 4 H ALA 2 H ALA 2 10.363 11.908 -6.428 5 HA ALA 2 HA ALA 2 7.944 10.960 -7.801 6 HB1 ALA 2 HB1 ALA 2 7.944 10.127 -5.101 7 HB2 ALA 2 HB2 ALA 2 8.174 9.145 -6.548 8 HB3 ALA 2 HB3 ALA 2 9.568 9.856 -5.735 9 H MET 3 H MET 3 5.873 11.421 -6.940 10 HA MET 3 HA MET 3 5.668 14.068 -5.826 11 HB2 MET 3 HB2 MET 3 4.151 13.002 -7.613 12 HB3 MET 3 HB3 MET 3 3.368 12.180 -6.270 13 HG2 MET 3 HG2 MET 3 2.038 14.031 -6.549 14 HG3 MET 3 HG3 MET 3 3.133 14.553 -5.271 15 HE1 MET 3 HE1 MET 3 1.257 16.300 -7.235 16 HE2 MET 3 HE2 MET 3 2.198 17.137 -6.001 17 HE3 MET 3 HE3 MET 3 2.278 17.667 -7.681 18 H GLY 4 H GLY 4 5.479 14.575 -3.744 19 HA2 GLY 4 HA2 GLY 4 3.975 13.077 -1.871 20 HA3 GLY 4 HA3 GLY 4 5.685 12.726 -1.671 21 H SER 5 H SER 5 3.165 15.047 -1.227 22 HA SER 5 HA SER 5 5.025 17.071 -0.245 23 HB2 SER 5 HB2 SER 5 2.045 17.075 -0.730 24 HB3 SER 5 HB3 SER 5 2.876 18.404 0.078 25 HG SER 5 HG SER 5 3.146 19.073 -1.905 26 H GLU 6 H GLU 6 2.345 15.061 0.913 27 HA GLU 6 HA GLU 6 2.525 16.006 3.607 28 HB2 GLU 6 HB2 GLU 6 1.079 13.729 2.280 29 HB3 GLU 6 HB3 GLU 6 1.087 13.903 4.029 30 HG2 GLU 6 HG2 GLU 6 -0.232 15.760 3.996 31 HG3 GLU 6 HG3 GLU 6 0.315 16.256 2.395 32 H SER 7 H SER 7 3.640 13.118 1.891 33 HA SER 7 HA SER 7 4.604 11.638 4.018 34 HB2 SER 7 HB2 SER 7 4.505 11.008 1.533 35 HB3 SER 7 HB3 SER 7 6.063 11.821 1.384 36 HG SER 7 HG SER 7 6.604 10.356 3.284 37 H GLU 8 H GLU 8 6.104 14.335 2.317 38 HA GLU 8 HA GLU 8 8.641 14.123 3.571 39 HB2 GLU 8 HB2 GLU 8 7.224 16.288 2.052 40 HB3 GLU 8 HB3 GLU 8 8.748 16.626 2.861 41 HG2 GLU 8 HG2 GLU 8 8.393 14.399 0.876 42 HG3 GLU 8 HG3 GLU 8 8.912 16.025 0.434 43 H GLN 9 H GLN 9 9.556 15.598 5.133 44 HA GLN 9 HA GLN 9 7.737 16.073 7.327 45 HB2 GLN 9 HB2 GLN 9 10.719 16.495 7.077 46 HB3 GLN 9 HB3 GLN 9 9.800 16.719 8.559 47 HG2 GLN 9 HG2 GLN 9 9.069 14.288 8.255 48 HG3 GLN 9 HG3 GLN 9 10.380 14.180 7.082 49 HE21 GLN 9 HE21 GLN 9 11.969 13.097 8.004 50 HE22 GLN 9 HE22 GLN 9 12.612 13.387 9.580 51 H ARG 10 H ARG 10 8.153 18.183 8.618 52 HA ARG 10 HA ARG 10 8.318 20.467 6.772 53 HB2 ARG 10 HB2 ARG 10 6.472 21.515 8.190 54 HB3 ARG 10 HB3 ARG 10 5.994 20.244 7.073 55 HG2 ARG 10 HG2 ARG 10 6.683 19.374 9.804 56 HG3 ARG 10 HG3 ARG 10 5.218 20.344 9.636 57 HD2 ARG 10 HD2 ARG 10 4.714 18.699 7.667 58 HD3 ARG 10 HD3 ARG 10 5.861 17.656 8.506 59 HE ARG 10 HE ARG 10 3.961 18.609 10.345 60 HH11 ARG 10 HH11 ARG 10 4.225 16.447 7.628 61 HH12 ARG 10 HH12 ARG 10 2.946 15.409 8.163 62 HH21 ARG 10 HH21 ARG 10 2.275 17.249 11.060 63 HH22 ARG 10 HH22 ARG 10 1.837 15.866 10.115 64 H HIS 11 H HIS 11 10.547 20.205 7.854 65 HA HIS 11 HA HIS 11 10.568 21.843 10.303 66 HB2 HIS 11 HB2 HIS 11 12.258 19.458 9.583 67 HB3 HIS 11 HB3 HIS 11 12.794 20.638 10.774 68 HD1 HIS 11 HD1 HIS 11 12.204 20.039 13.091 69 HD2 HIS 11 HD2 HIS 11 9.522 18.427 10.358 70 HE1 HIS 11 HE1 HIS 11 10.585 18.683 14.457 71 H ALA 12 H ALA 12 10.561 23.165 7.984 72 HA ALA 12 HA ALA 12 13.171 24.401 7.962 73 HB1 ALA 12 HB1 ALA 12 12.636 24.085 5.217 74 HB2 ALA 12 HB2 ALA 12 13.974 23.411 6.147 75 HB3 ALA 12 HB3 ALA 12 12.485 22.488 5.950 76 H HIS 13 H HIS 13 12.741 26.495 8.093 77 HA HIS 13 HA HIS 13 10.200 27.542 7.172 78 HB2 HIS 13 HB2 HIS 13 12.411 28.509 8.906 79 HB3 HIS 13 HB3 HIS 13 11.461 29.733 8.068 80 HD1 HIS 13 HD1 HIS 13 10.469 30.552 10.319 81 HD2 HIS 13 HD2 HIS 13 9.588 26.598 9.399 82 HE1 HIS 13 HE1 HIS 13 8.639 29.884 11.910 83 H GLN 14 H GLN 14 10.056 27.882 5.040 84 HA GLN 14 HA GLN 14 12.245 29.364 3.738 85 HB2 GLN 14 HB2 GLN 14 10.672 27.010 2.851 86 HB3 GLN 14 HB3 GLN 14 11.040 28.220 1.629 87 HG2 GLN 14 HG2 GLN 14 13.246 27.739 1.614 88 HG3 GLN 14 HG3 GLN 14 13.285 27.346 3.332 89 HE21 GLN 14 HE21 GLN 14 13.408 26.115 0.249 90 HE22 GLN 14 HE22 GLN 14 13.104 24.453 0.606 91 H CYS 15 H CYS 15 11.470 30.575 1.750 92 HA CYS 15 HA CYS 15 9.424 32.380 2.533 93 HB2 CYS 15 HB2 CYS 15 11.448 32.911 1.099 94 HB3 CYS 15 HB3 CYS 15 10.610 32.120 -0.230 95 HG CYS 15 HG CYS 15 8.793 34.481 1.293 96 H VAL 16 H VAL 16 7.330 32.555 1.918 97 HA VAL 16 HA VAL 16 6.013 30.247 0.910 98 HB VAL 16 HB VAL 16 3.964 31.569 1.016 99 HG11 VAL 16 HG11 VAL 16 3.859 31.699 3.312 100 HG12 VAL 16 HG12 VAL 16 5.276 30.672 3.093 101 HG13 VAL 16 HG13 VAL 16 5.477 32.386 3.455 102 HG21 VAL 16 HG21 VAL 16 4.182 33.952 1.888 103 HG22 VAL 16 HG22 VAL 16 5.869 33.864 1.383 104 HG23 VAL 16 HG23 VAL 16 4.582 33.684 0.192 105 H SER 17 H SER 17 7.249 33.146 -0.541 106 HA SER 17 HA SER 17 5.728 32.917 -2.968 107 HB2 SER 17 HB2 SER 17 6.485 35.112 -2.277 108 HB3 SER 17 HB3 SER 17 8.164 34.573 -2.270 109 HG SER 17 HG SER 17 8.119 35.323 -4.242 110 H CYS 18 H CYS 18 9.226 32.648 -2.309 111 HA CYS 18 HA CYS 18 9.422 30.815 -4.603 112 HB2 CYS 18 HB2 CYS 18 10.774 32.807 -4.889 113 HB3 CYS 18 HB3 CYS 18 11.521 32.568 -3.314 114 HG CYS 18 HG CYS 18 12.156 31.011 -6.242 115 H GLY 19 H GLY 19 11.520 31.342 -1.781 116 HA2 GLY 19 HA2 GLY 19 11.043 29.299 -0.135 117 HA3 GLY 19 HA3 GLY 19 11.794 28.459 -1.484 118 H ILE 20 H ILE 20 12.600 31.678 -0.274 119 HA ILE 20 HA ILE 20 15.360 31.254 -0.323 120 HB ILE 20 HB ILE 20 13.808 33.244 1.337 121 HG12 ILE 20 HG12 ILE 20 14.969 34.612 -0.736 122 HG13 ILE 20 HG13 ILE 20 14.547 33.085 -1.505 123 HG21 ILE 20 HG21 ILE 20 16.017 33.042 2.232 124 HG22 ILE 20 HG22 ILE 20 16.731 33.104 0.621 125 HG23 ILE 20 HG23 ILE 20 15.944 34.533 1.293 126 HD11 ILE 20 HD11 ILE 20 12.460 34.354 0.150 127 HD12 ILE 20 HD12 ILE 20 12.882 35.156 -1.363 128 HD13 ILE 20 HD13 ILE 20 12.331 33.481 -1.377 129 H ASN 21 H ASN 21 16.870 30.744 1.233 130 HA ASN 21 HA ASN 21 15.956 29.050 3.363 131 HB2 ASN 21 HB2 ASN 21 18.749 29.980 2.658 132 HB3 ASN 21 HB3 ASN 21 18.360 28.715 3.819 133 HD21 ASN 21 HD21 ASN 21 17.506 26.750 3.067 134 HD22 ASN 21 HD22 ASN 21 17.709 26.254 1.424 135 H ILE 22 H ILE 22 14.764 31.176 4.127 136 HA ILE 22 HA ILE 22 16.485 32.736 5.910 137 HB ILE 22 HB ILE 22 14.452 34.132 6.276 138 HG12 ILE 22 HG12 ILE 22 13.262 32.538 4.001 139 HG13 ILE 22 HG13 ILE 22 12.848 32.269 5.691 140 HG21 ILE 22 HG21 ILE 22 16.178 34.048 4.097 141 HG22 ILE 22 HG22 ILE 22 14.578 34.284 3.395 142 HG23 ILE 22 HG23 ILE 22 15.183 35.411 4.610 143 HD11 ILE 22 HD11 ILE 22 11.551 33.952 3.984 144 HD12 ILE 22 HD12 ILE 22 11.480 34.024 5.744 145 HD13 ILE 22 HD13 ILE 22 12.611 35.053 4.864 146 H ALA 23 H ALA 23 15.980 29.993 6.539 147 HA ALA 23 HA ALA 23 13.926 29.742 8.485 148 HB1 ALA 23 HB1 ALA 23 16.419 28.063 8.311 149 HB2 ALA 23 HB2 ALA 23 14.849 27.611 8.975 150 HB3 ALA 23 HB3 ALA 23 15.034 27.857 7.239 151 H GLY 24 H GLY 24 13.871 30.771 10.369 152 HA2 GLY 24 HA2 GLY 24 14.526 31.563 12.425 153 HA3 GLY 24 HA3 GLY 24 15.976 30.583 12.262 154 H MET 25 H MET 25 15.374 32.802 9.723 155 HA MET 25 HA MET 25 17.506 34.539 10.771 156 HB2 MET 25 HB2 MET 25 16.632 34.115 7.907 157 HB3 MET 25 HB3 MET 25 17.962 35.136 8.436 158 HG2 MET 25 HG2 MET 25 17.896 32.209 9.063 159 HG3 MET 25 HG3 MET 25 18.505 32.813 7.524 160 HE1 MET 25 HE1 MET 25 21.448 33.142 7.497 161 HE2 MET 25 HE2 MET 25 20.209 34.353 7.171 162 HE3 MET 25 HE3 MET 25 21.565 34.742 8.230 163 H SER 26 H SER 26 17.276 36.757 9.295 164 HA SER 26 HA SER 26 14.974 38.032 10.445 165 HB2 SER 26 HB2 SER 26 17.106 39.217 10.366 166 HB3 SER 26 HB3 SER 26 17.126 39.110 8.606 167 HG SER 26 HG SER 26 15.339 40.576 10.244 168 H ALA 27 H ALA 27 13.041 38.203 9.543 169 HA ALA 27 HA ALA 27 12.555 38.956 6.890 170 HB1 ALA 27 HB1 ALA 27 13.263 36.851 6.122 171 HB2 ALA 27 HB2 ALA 27 12.423 36.002 7.419 172 HB3 ALA 27 HB3 ALA 27 11.501 36.770 6.127 173 H ALA 28 H ALA 28 10.237 38.884 6.331 174 HA ALA 28 HA ALA 28 8.616 39.805 8.381 175 HB1 ALA 28 HB1 ALA 28 7.355 38.452 6.045 176 HB2 ALA 28 HB2 ALA 28 6.944 39.981 6.822 177 HB3 ALA 28 HB3 ALA 28 8.356 39.878 5.771 178 H THR 29 H THR 29 8.327 38.603 10.180 179 HA THR 29 HA THR 29 7.370 35.839 9.862 180 HB THR 29 HB THR 29 8.004 36.623 12.593 181 HG1 THR 29 HG1 THR 29 10.111 37.113 12.336 182 HG21 THR 29 HG21 THR 29 7.817 34.331 12.160 183 HG22 THR 29 HG22 THR 29 8.783 34.436 10.688 184 HG23 THR 29 HG23 THR 29 9.558 34.594 12.264 185 H PHE 30 H PHE 30 5.289 35.457 10.203 186 HA PHE 30 HA PHE 30 3.841 36.969 12.231 187 HB2 PHE 30 HB2 PHE 30 1.957 37.417 10.684 188 HB3 PHE 30 HB3 PHE 30 3.430 38.261 10.214 189 HD1 PHE 30 HD1 PHE 30 4.839 37.272 8.361 190 HD2 PHE 30 HD2 PHE 30 0.873 35.976 9.205 191 HE1 PHE 30 HE1 PHE 30 4.686 36.286 6.112 192 HE2 PHE 30 HE2 PHE 30 0.714 34.987 6.957 193 HZ PHE 30 HZ PHE 30 2.622 35.143 5.407 194 H LYS 31 H LYS 31 1.451 36.070 12.254 195 HA LYS 31 HA LYS 31 1.652 33.133 12.104 196 HB2 LYS 31 HB2 LYS 31 1.532 33.780 14.400 197 HB3 LYS 31 HB3 LYS 31 0.220 34.906 14.082 198 HG2 LYS 31 HG2 LYS 31 -1.266 33.043 13.568 199 HG3 LYS 31 HG3 LYS 31 0.051 31.906 13.865 200 HD2 LYS 31 HD2 LYS 31 -0.039 32.182 16.128 201 HD3 LYS 31 HD3 LYS 31 -0.594 33.854 16.011 202 HE2 LYS 31 HE2 LYS 31 -2.788 32.899 15.148 203 HE3 LYS 31 HE3 LYS 31 -2.194 31.328 15.685 204 HZ1 LYS 31 HZ1 LYS 31 -2.217 33.609 17.548 205 HZ2 LYS 31 HZ2 LYS 31 -3.639 32.737 17.265 206 HZ3 LYS 31 HZ3 LYS 31 -2.275 31.952 17.887 207 H CYS 32 H CYS 32 0.285 32.138 10.781 208 HA CYS 32 HA CYS 32 -1.581 33.551 9.203 209 HB2 CYS 32 HB2 CYS 32 -0.384 31.405 8.587 210 HB3 CYS 32 HB3 CYS 32 -1.524 30.562 9.629 211 HG CYS 32 HG CYS 32 -2.174 32.185 6.700 212 HA PRO 33 HA PRO 33 -4.955 33.647 12.089 213 HB2 PRO 33 HB2 PRO 33 -6.783 34.693 10.377 214 HB3 PRO 33 HB3 PRO 33 -5.508 35.659 11.129 215 HG2 PRO 33 HG2 PRO 33 -5.614 34.469 8.384 216 HG3 PRO 33 HG3 PRO 33 -5.065 36.079 8.885 217 HD2 PRO 33 HD2 PRO 33 -3.347 34.058 8.342 218 HD3 PRO 33 HD3 PRO 33 -3.002 35.305 9.558 219 H ASP 34 H ASP 34 -4.633 31.707 9.348 220 HA ASP 34 HA ASP 34 -7.280 30.516 9.537 221 HB2 ASP 34 HB2 ASP 34 -5.918 30.914 7.361 222 HB3 ASP 34 HB3 ASP 34 -5.046 29.457 7.831 223 H CYS 35 H CYS 35 -3.904 29.405 9.819 224 HA CYS 35 HA CYS 35 -4.874 27.191 11.502 225 HB2 CYS 35 HB2 CYS 35 -2.643 26.121 10.883 226 HB3 CYS 35 HB3 CYS 35 -3.840 26.240 9.600 227 HG CYS 35 HG CYS 35 -1.464 26.769 8.365 228 H GLY 36 H GLY 36 -2.258 29.557 11.105 229 HA2 GLY 36 HA2 GLY 36 -1.506 30.846 12.996 230 HA3 GLY 36 HA3 GLY 36 -1.878 29.471 14.025 231 H GLN 37 H GLN 37 -0.303 28.827 11.033 232 HA GLN 37 HA GLN 37 2.027 27.863 12.445 233 HB2 GLN 37 HB2 GLN 37 1.400 27.857 9.488 234 HB3 GLN 37 HB3 GLN 37 2.726 26.997 10.257 235 HG2 GLN 37 HG2 GLN 37 -0.099 26.489 11.088 236 HG3 GLN 37 HG3 GLN 37 0.573 25.718 9.652 237 HE21 GLN 37 HE21 GLN 37 0.745 25.974 13.118 238 HE22 GLN 37 HE22 GLN 37 1.677 24.543 13.379 239 H GLU 38 H GLU 38 3.825 28.983 12.768 240 HA GLU 38 HA GLU 38 4.200 31.631 12.102 241 HB2 GLU 38 HB2 GLU 38 5.504 30.104 13.745 242 HB3 GLU 38 HB3 GLU 38 6.540 29.767 12.365 243 HG2 GLU 38 HG2 GLU 38 7.219 32.020 12.199 244 HG3 GLU 38 HG3 GLU 38 5.956 32.557 13.304 245 H ILE 39 H ILE 39 4.291 32.526 10.156 246 HA ILE 39 HA ILE 39 5.495 31.031 7.940 247 HB ILE 39 HB ILE 39 3.972 33.618 7.708 248 HG12 ILE 39 HG12 ILE 39 2.894 30.792 7.658 249 HG13 ILE 39 HG13 ILE 39 2.517 32.034 8.847 250 HG21 ILE 39 HG21 ILE 39 3.727 33.058 5.427 251 HG22 ILE 39 HG22 ILE 39 5.418 32.749 5.823 252 HG23 ILE 39 HG23 ILE 39 4.282 31.406 5.696 253 HD11 ILE 39 HD11 ILE 39 1.919 33.097 6.303 254 HD12 ILE 39 HD12 ILE 39 1.231 31.475 6.381 255 HD13 ILE 39 HD13 ILE 39 0.809 32.671 7.606 256 H SER 40 H SER 40 7.303 31.686 6.917 257 HA SER 40 HA SER 40 8.498 34.243 7.767 258 HB2 SER 40 HB2 SER 40 10.698 33.215 7.676 259 HB3 SER 40 HB3 SER 40 9.661 32.271 8.746 260 HG SER 40 HG SER 40 10.484 31.669 6.110 261 H ARG 41 H ARG 41 8.290 35.577 6.086 262 HA ARG 41 HA ARG 41 8.957 34.549 3.405 263 HB2 ARG 41 HB2 ARG 41 7.266 36.981 3.966 264 HB3 ARG 41 HB3 ARG 41 7.443 36.112 2.448 265 HG2 ARG 41 HG2 ARG 41 6.224 34.235 3.316 266 HG3 ARG 41 HG3 ARG 41 6.167 34.966 4.921 267 HD2 ARG 41 HD2 ARG 41 4.060 35.189 3.585 268 HD3 ARG 41 HD3 ARG 41 4.738 36.711 4.162 269 HE ARG 41 HE ARG 41 5.692 36.157 1.566 270 HH11 ARG 41 HH11 ARG 41 2.810 37.143 3.250 271 HH12 ARG 41 HH12 ARG 41 2.165 38.021 1.902 272 HH21 ARG 41 HH21 ARG 41 4.855 37.309 -0.216 273 HH22 ARG 41 HH22 ARG 41 3.329 38.114 -0.069 274 H CYS 42 H CYS 42 10.773 35.302 2.554 275 HA CYS 42 HA CYS 42 12.477 37.109 3.789 276 HB2 CYS 42 HB2 CYS 42 12.842 35.412 1.805 277 HB3 CYS 42 HB3 CYS 42 12.533 36.831 0.812 278 HG CYS 42 HG CYS 42 14.683 37.762 3.046 279 H SER 43 H SER 43 13.262 39.202 2.871 280 HA SER 43 HA SER 43 11.340 41.162 2.976 281 HB2 SER 43 HB2 SER 43 13.077 42.594 1.732 282 HB3 SER 43 HB3 SER 43 13.579 41.854 3.252 283 HG SER 43 HG SER 43 15.086 41.621 1.464 284 H LYS 44 H LYS 44 12.428 39.324 0.206 285 HA LYS 44 HA LYS 44 11.480 40.835 -1.898 286 HB2 LYS 44 HB2 LYS 44 11.487 37.832 -1.557 287 HB3 LYS 44 HB3 LYS 44 11.156 38.644 -3.082 288 HG2 LYS 44 HG2 LYS 44 13.704 39.016 -1.530 289 HG3 LYS 44 HG3 LYS 44 13.496 37.802 -2.795 290 HD2 LYS 44 HD2 LYS 44 13.283 39.408 -4.470 291 HD3 LYS 44 HD3 LYS 44 12.882 40.688 -3.322 292 HE2 LYS 44 HE2 LYS 44 15.213 40.486 -2.426 293 HE3 LYS 44 HE3 LYS 44 15.566 39.389 -3.760 294 HZ1 LYS 44 HZ1 LYS 44 16.102 41.881 -4.008 295 HZ2 LYS 44 HZ2 LYS 44 15.381 41.071 -5.306 296 HZ3 LYS 44 HZ3 LYS 44 14.445 42.059 -4.301 297 H CYS 45 H CYS 45 9.696 38.901 0.401 298 HA CYS 45 HA CYS 45 7.275 38.584 -0.900 299 HB2 CYS 45 HB2 CYS 45 6.316 38.179 1.210 300 HB3 CYS 45 HB3 CYS 45 8.003 37.719 1.404 301 HG CYS 45 HG CYS 45 8.754 39.793 2.949 302 H ARG 46 H ARG 46 8.726 41.455 0.352 303 HA ARG 46 HA ARG 46 6.620 43.115 0.901 304 HB2 ARG 46 HB2 ARG 46 9.253 43.655 -0.453 305 HB3 ARG 46 HB3 ARG 46 8.105 44.949 -0.131 306 HG2 ARG 46 HG2 ARG 46 8.226 44.540 2.234 307 HG3 ARG 46 HG3 ARG 46 9.242 43.121 1.972 308 HD2 ARG 46 HD2 ARG 46 9.949 45.988 1.358 309 HD3 ARG 46 HD3 ARG 46 10.607 44.997 2.659 310 HE ARG 46 HE ARG 46 11.161 43.614 0.360 311 HH11 ARG 46 HH11 ARG 46 11.854 46.799 1.582 312 HH12 ARG 46 HH12 ARG 46 13.355 46.942 0.728 313 HH21 ARG 46 HH21 ARG 46 13.135 43.791 -0.770 314 HH22 ARG 46 HH22 ARG 46 14.082 45.231 -0.610 315 H LYS 47 H LYS 47 7.867 42.199 -2.274 316 HA LYS 47 HA LYS 47 5.983 43.886 -3.669 317 HB2 LYS 47 HB2 LYS 47 7.070 43.258 -5.631 318 HB3 LYS 47 HB3 LYS 47 8.359 43.194 -4.436 319 HG2 LYS 47 HG2 LYS 47 7.997 40.750 -4.248 320 HG3 LYS 47 HG3 LYS 47 6.813 40.864 -5.552 321 HD2 LYS 47 HD2 LYS 47 8.837 40.201 -6.574 322 HD3 LYS 47 HD3 LYS 47 8.654 41.918 -6.942 323 HE2 LYS 47 HE2 LYS 47 10.840 41.890 -6.277 324 HE3 LYS 47 HE3 LYS 47 10.058 42.186 -4.725 325 HZ1 LYS 47 HZ1 LYS 47 10.141 39.439 -5.053 326 HZ2 LYS 47 HZ2 LYS 47 11.670 40.002 -5.509 327 HZ3 LYS 47 HZ3 LYS 47 11.055 40.373 -3.977 328 H GLN 48 H GLN 48 6.238 40.541 -2.697 329 HA GLN 48 HA GLN 48 4.050 39.654 -4.343 330 HB2 GLN 48 HB2 GLN 48 6.056 38.277 -3.415 331 HB3 GLN 48 HB3 GLN 48 5.078 38.149 -1.960 332 HG2 GLN 48 HG2 GLN 48 4.532 36.225 -3.098 333 HG3 GLN 48 HG3 GLN 48 3.228 37.319 -3.557 334 HE21 GLN 48 HE21 GLN 48 2.861 36.048 -5.412 335 HE22 GLN 48 HE22 GLN 48 3.891 36.164 -6.794 336 H SER 49 H SER 49 4.155 41.566 -1.691 337 HA SER 49 HA SER 49 2.264 40.573 0.084 338 HB2 SER 49 HB2 SER 49 2.558 43.487 -0.666 339 HB3 SER 49 HB3 SER 49 1.996 42.827 0.870 340 HG SER 49 HG SER 49 4.048 42.122 1.310 341 H ASN 50 H ASN 50 1.839 42.182 -3.003 342 HA ASN 50 HA ASN 50 -0.831 42.880 -2.899 343 HB2 ASN 50 HB2 ASN 50 0.506 41.678 -5.328 344 HB3 ASN 50 HB3 ASN 50 -0.826 42.831 -5.296 345 HD21 ASN 50 HD21 ASN 50 1.579 43.172 -6.716 346 HD22 ASN 50 HD22 ASN 50 2.402 44.539 -6.052 347 H LEU 51 H LEU 51 0.619 39.722 -3.372 348 HA LEU 51 HA LEU 51 -1.914 38.455 -2.789 349 HB2 LEU 51 HB2 LEU 51 -1.629 38.887 -5.353 350 HB3 LEU 51 HB3 LEU 51 -0.536 37.507 -5.262 351 HG LEU 51 HG LEU 51 -2.775 36.856 -6.002 352 HD11 LEU 51 HD11 LEU 51 -2.179 35.827 -3.232 353 HD12 LEU 51 HD12 LEU 51 -3.083 35.002 -4.502 354 HD13 LEU 51 HD13 LEU 51 -1.356 35.300 -4.701 355 HD21 LEU 51 HD21 LEU 51 -4.571 37.811 -5.118 356 HD22 LEU 51 HD22 LEU 51 -4.239 36.984 -3.596 357 HD23 LEU 51 HD23 LEU 51 -3.584 38.596 -3.885 358 H TYR 52 H TYR 52 -1.409 37.028 -1.276 359 HA TYR 52 HA TYR 52 1.041 35.430 -1.609 360 HB2 TYR 52 HB2 TYR 52 1.578 35.608 0.682 361 HB3 TYR 52 HB3 TYR 52 1.164 37.246 0.188 362 HD1 TYR 52 HD1 TYR 52 -1.368 37.900 0.554 363 HD2 TYR 52 HD2 TYR 52 0.635 34.763 2.616 364 HE1 TYR 52 HE1 TYR 52 -3.039 38.025 2.354 365 HE2 TYR 52 HE2 TYR 52 -1.031 34.879 4.422 366 HH TYR 52 HH TYR 52 -3.734 37.183 4.283 367 H GLU 53 H GLU 53 0.950 33.482 -0.013 368 HA GLU 53 HA GLU 53 -1.686 32.444 0.513 369 HB2 GLU 53 HB2 GLU 53 -1.553 31.919 -1.842 370 HB3 GLU 53 HB3 GLU 53 0.043 31.211 -1.636 371 HG2 GLU 53 HG2 GLU 53 -1.008 29.505 -0.135 372 HG3 GLU 53 HG3 GLU 53 -2.577 30.149 -0.617 373 H CYS 54 H CYS 54 -1.637 31.066 2.186 374 HA CYS 54 HA CYS 54 0.859 30.551 3.491 375 HB2 CYS 54 HB2 CYS 54 -1.240 31.023 4.728 376 HB3 CYS 54 HB3 CYS 54 -1.897 29.494 4.156 377 HG CYS 54 HG CYS 54 1.040 29.353 5.816 378 HA PRO 55 HA PRO 55 1.552 26.762 1.208 379 HB2 PRO 55 HB2 PRO 55 3.993 26.269 2.290 380 HB3 PRO 55 HB3 PRO 55 3.734 27.451 1.001 381 HG2 PRO 55 HG2 PRO 55 4.012 27.894 3.948 382 HG3 PRO 55 HG3 PRO 55 4.720 28.813 2.607 383 HD2 PRO 55 HD2 PRO 55 2.522 29.652 3.947 384 HD3 PRO 55 HD3 PRO 55 2.777 29.993 2.224 385 H ASP 56 H ASP 56 1.195 27.272 4.560 386 HA ASP 56 HA ASP 56 1.634 24.538 5.363 387 HB2 ASP 56 HB2 ASP 56 0.200 26.651 6.966 388 HB3 ASP 56 HB3 ASP 56 1.082 25.246 7.558 389 H CYS 57 H CYS 57 -1.234 26.660 5.287 390 HA CYS 57 HA CYS 57 -2.907 24.245 5.129 391 HB2 CYS 57 HB2 CYS 57 -4.748 25.664 5.944 392 HB3 CYS 57 HB3 CYS 57 -3.390 25.655 7.062 393 HG CYS 57 HG CYS 57 -4.943 28.214 6.028 394 H GLY 58 H GLY 58 -1.475 25.728 2.927 395 HA2 GLY 58 HA2 GLY 58 -1.905 26.580 0.823 396 HA3 GLY 58 HA3 GLY 58 -3.153 25.342 0.829 397 H PHE 59 H PHE 59 -2.949 28.304 2.764 398 HA PHE 59 HA PHE 59 -5.630 29.014 1.871 399 HB2 PHE 59 HB2 PHE 59 -5.323 29.138 4.237 400 HB3 PHE 59 HB3 PHE 59 -3.846 30.079 4.061 401 HD1 PHE 59 HD1 PHE 59 -7.217 30.469 2.524 402 HD2 PHE 59 HD2 PHE 59 -4.204 32.136 5.026 403 HE1 PHE 59 HE1 PHE 59 -8.524 32.546 2.708 404 HE2 PHE 59 HE2 PHE 59 -5.507 34.215 5.215 405 HZ PHE 59 HZ PHE 59 -7.669 34.423 4.054 406 H MET 60 H MET 60 -5.665 30.052 -0.027 407 HA MET 60 HA MET 60 -3.560 31.884 -0.782 408 HB2 MET 60 HB2 MET 60 -6.143 31.217 -2.204 409 HB3 MET 60 HB3 MET 60 -4.784 32.100 -2.887 410 HG2 MET 60 HG2 MET 60 -3.530 30.231 -3.177 411 HG3 MET 60 HG3 MET 60 -4.250 29.400 -1.800 412 HE1 MET 60 HE1 MET 60 -6.064 27.938 -1.775 413 HE2 MET 60 HE2 MET 60 -6.764 27.152 -3.191 414 HE3 MET 60 HE3 MET 60 -5.044 26.973 -2.842 415 H GLY 61 H GLY 61 -3.545 33.986 -0.342 416 HA2 GLY 61 HA2 GLY 61 -6.125 35.367 0.015 417 HA3 GLY 61 HA3 GLY 61 -4.852 35.550 1.213 418 HA PRO 62 HA PRO 62 -4.525 38.838 -2.137 419 HB2 PRO 62 HB2 PRO 62 -4.890 40.975 -0.502 420 HB3 PRO 62 HB3 PRO 62 -6.225 40.140 -1.304 421 HG2 PRO 62 HG2 PRO 62 -5.234 39.865 1.508 422 HG3 PRO 62 HG3 PRO 62 -6.902 39.953 0.913 423 HD2 PRO 62 HD2 PRO 62 -5.718 37.614 1.588 424 HD3 PRO 62 HD3 PRO 62 -6.935 37.732 0.301 Start of MODEL 12 1 H1 GLY 1 H GLY 1 10.803 -2.230 0.382 2 HA2 GLY 1 HA2 GLY 1 9.410 -1.571 2.154 3 HA3 GLY 1 HA3 GLY 1 9.762 -0.031 1.385 4 H ALA 2 H ALA 2 7.817 0.922 1.934 5 HA ALA 2 HA ALA 2 5.577 0.160 0.246 6 HB1 ALA 2 HB1 ALA 2 4.967 0.589 3.141 7 HB2 ALA 2 HB2 ALA 2 4.011 -0.224 1.901 8 HB3 ALA 2 HB3 ALA 2 5.446 -1.007 2.563 9 H MET 3 H MET 3 3.810 1.806 0.345 10 HA MET 3 HA MET 3 4.905 4.409 0.079 11 HB2 MET 3 HB2 MET 3 2.616 5.120 -0.380 12 HB3 MET 3 HB3 MET 3 2.990 3.639 -1.251 13 HG2 MET 3 HG2 MET 3 1.907 2.818 1.189 14 HG3 MET 3 HG3 MET 3 0.908 4.166 0.651 15 HE1 MET 3 HE1 MET 3 -0.323 1.166 0.960 16 HE2 MET 3 HE2 MET 3 -1.150 2.670 0.553 17 HE3 MET 3 HE3 MET 3 -1.348 1.249 -0.474 18 H GLY 4 H GLY 4 4.393 6.309 1.277 19 HA2 GLY 4 HA2 GLY 4 2.969 6.936 3.365 20 HA3 GLY 4 HA3 GLY 4 4.004 5.739 4.131 21 H SER 5 H SER 5 6.429 6.140 3.684 22 HA SER 5 HA SER 5 7.148 8.554 4.889 23 HB2 SER 5 HB2 SER 5 9.469 7.950 4.300 24 HB3 SER 5 HB3 SER 5 8.585 6.571 4.952 25 HG SER 5 HG SER 5 8.511 5.663 2.986 26 H GLU 6 H GLU 6 7.273 7.582 1.477 27 HA GLU 6 HA GLU 6 8.444 9.920 0.474 28 HB2 GLU 6 HB2 GLU 6 7.477 9.237 -1.702 29 HB3 GLU 6 HB3 GLU 6 8.304 7.922 -0.879 30 HG2 GLU 6 HG2 GLU 6 5.998 7.254 -0.009 31 HG3 GLU 6 HG3 GLU 6 5.361 8.345 -1.237 32 H SER 7 H SER 7 5.095 9.110 1.179 33 HA SER 7 HA SER 7 3.928 11.367 -0.070 34 HB2 SER 7 HB2 SER 7 2.959 9.518 2.112 35 HB3 SER 7 HB3 SER 7 1.973 10.832 1.470 36 HG SER 7 HG SER 7 2.401 9.822 -0.647 37 H GLU 8 H GLU 8 4.862 10.715 3.296 38 HA GLU 8 HA GLU 8 4.028 13.202 4.331 39 HB2 GLU 8 HB2 GLU 8 6.045 11.179 5.295 40 HB3 GLU 8 HB3 GLU 8 5.662 12.637 6.199 41 HG2 GLU 8 HG2 GLU 8 3.501 11.938 6.665 42 HG3 GLU 8 HG3 GLU 8 3.495 10.761 5.352 43 H GLN 9 H GLN 9 5.304 15.002 5.003 44 HA GLN 9 HA GLN 9 7.909 15.290 3.695 45 HB2 GLN 9 HB2 GLN 9 7.199 17.649 3.047 46 HB3 GLN 9 HB3 GLN 9 6.521 16.332 2.099 47 HG2 GLN 9 HG2 GLN 9 4.415 16.556 3.067 48 HG3 GLN 9 HG3 GLN 9 5.039 17.484 4.430 49 HE21 GLN 9 HE21 GLN 9 3.584 17.624 1.408 50 HE22 GLN 9 HE22 GLN 9 3.728 19.324 1.132 51 H ARG 10 H ARG 10 8.728 17.674 4.348 52 HA ARG 10 HA ARG 10 8.303 17.921 7.254 53 HB2 ARG 10 HB2 ARG 10 10.901 18.512 5.840 54 HB3 ARG 10 HB3 ARG 10 10.620 18.383 7.572 55 HG2 ARG 10 HG2 ARG 10 10.419 16.112 5.604 56 HG3 ARG 10 HG3 ARG 10 11.792 16.433 6.665 57 HD2 ARG 10 HD2 ARG 10 8.980 15.728 7.488 58 HD3 ARG 10 HD3 ARG 10 10.419 14.722 7.652 59 HE ARG 10 HE ARG 10 10.995 17.001 9.050 60 HH11 ARG 10 HH11 ARG 10 8.473 14.603 9.149 61 HH12 ARG 10 HH12 ARG 10 8.198 14.774 10.851 62 HH21 ARG 10 HH21 ARG 10 10.642 17.235 11.291 63 HH22 ARG 10 HH22 ARG 10 9.432 16.272 12.069 64 H HIS 11 H HIS 11 9.304 20.138 8.006 65 HA HIS 11 HA HIS 11 7.725 22.167 6.814 66 HB2 HIS 11 HB2 HIS 11 8.971 23.685 8.395 67 HB3 HIS 11 HB3 HIS 11 8.170 22.314 9.159 68 HD1 HIS 11 HD1 HIS 11 9.765 22.332 11.174 69 HD2 HIS 11 HD2 HIS 11 11.677 21.802 7.523 70 HE1 HIS 11 HE1 HIS 11 12.108 21.614 11.740 71 H ALA 12 H ALA 12 8.926 24.414 6.451 72 HA ALA 12 HA ALA 12 11.462 24.468 5.267 73 HB1 ALA 12 HB1 ALA 12 9.417 23.376 3.576 74 HB2 ALA 12 HB2 ALA 12 10.026 24.885 2.897 75 HB3 ALA 12 HB3 ALA 12 11.141 23.569 3.263 76 H HIS 13 H HIS 13 11.853 26.473 5.980 77 HA HIS 13 HA HIS 13 9.838 28.552 5.751 78 HB2 HIS 13 HB2 HIS 13 12.581 28.453 7.001 79 HB3 HIS 13 HB3 HIS 13 11.659 29.948 6.875 80 HD1 HIS 13 HD1 HIS 13 12.475 28.480 9.574 81 HD2 HIS 13 HD2 HIS 13 8.754 28.354 7.731 82 HE1 HIS 13 HE1 HIS 13 10.839 27.918 11.400 83 H GLN 14 H GLN 14 9.615 29.442 3.799 84 HA GLN 14 HA GLN 14 11.965 30.622 2.541 85 HB2 GLN 14 HB2 GLN 14 10.378 28.395 1.420 86 HB3 GLN 14 HB3 GLN 14 10.720 29.718 0.312 87 HG2 GLN 14 HG2 GLN 14 12.898 29.207 0.164 88 HG3 GLN 14 HG3 GLN 14 13.022 28.777 1.869 89 HE21 GLN 14 HE21 GLN 14 11.596 26.731 2.353 90 HE22 GLN 14 HE22 GLN 14 11.891 25.399 1.294 91 H CYS 15 H CYS 15 11.294 32.048 0.662 92 HA CYS 15 HA CYS 15 9.333 33.877 1.561 93 HB2 CYS 15 HB2 CYS 15 11.414 34.287 0.073 94 HB3 CYS 15 HB3 CYS 15 10.369 33.814 -1.261 95 HG CYS 15 HG CYS 15 9.047 36.155 0.734 96 H VAL 16 H VAL 16 7.219 34.040 1.146 97 HA VAL 16 HA VAL 16 5.812 31.930 -0.096 98 HB VAL 16 HB VAL 16 3.810 33.237 0.249 99 HG11 VAL 16 HG11 VAL 16 5.096 32.199 2.197 100 HG12 VAL 16 HG12 VAL 16 5.571 33.848 2.602 101 HG13 VAL 16 HG13 VAL 16 3.865 33.400 2.587 102 HG21 VAL 16 HG21 VAL 16 3.957 35.420 -0.220 103 HG22 VAL 16 HG22 VAL 16 4.528 35.602 1.438 104 HG23 VAL 16 HG23 VAL 16 5.687 35.467 0.116 105 H SER 17 H SER 17 7.110 34.918 -1.284 106 HA SER 17 HA SER 17 5.515 34.993 -3.672 107 HB2 SER 17 HB2 SER 17 7.087 36.828 -2.335 108 HB3 SER 17 HB3 SER 17 8.048 36.458 -3.767 109 HG SER 17 HG SER 17 5.302 37.162 -3.844 110 H CYS 18 H CYS 18 9.016 34.527 -3.156 111 HA CYS 18 HA CYS 18 9.074 32.935 -5.630 112 HB2 CYS 18 HB2 CYS 18 10.503 34.884 -5.761 113 HB3 CYS 18 HB3 CYS 18 11.270 34.473 -4.233 114 HG CYS 18 HG CYS 18 13.270 33.590 -5.632 115 H GLY 19 H GLY 19 11.263 33.084 -2.831 116 HA2 GLY 19 HA2 GLY 19 10.758 30.916 -1.378 117 HA3 GLY 19 HA3 GLY 19 11.402 30.173 -2.835 118 H ILE 20 H ILE 20 12.437 33.211 -1.360 119 HA ILE 20 HA ILE 20 15.166 32.655 -1.584 120 HB ILE 20 HB ILE 20 13.795 34.548 0.330 121 HG12 ILE 20 HG12 ILE 20 15.014 35.995 -1.703 122 HG13 ILE 20 HG13 ILE 20 14.319 34.610 -2.538 123 HG21 ILE 20 HG21 ILE 20 16.130 35.704 0.019 124 HG22 ILE 20 HG22 ILE 20 15.906 34.430 1.219 125 HG23 ILE 20 HG23 ILE 20 16.658 34.058 -0.333 126 HD11 ILE 20 HD11 ILE 20 12.551 35.937 -0.604 127 HD12 ILE 20 HD12 ILE 20 12.989 36.886 -2.024 128 HD13 ILE 20 HD13 ILE 20 12.214 35.314 -2.219 129 H ASN 21 H ASN 21 16.712 31.922 -0.158 130 HA ASN 21 HA ASN 21 15.825 30.040 1.806 131 HB2 ASN 21 HB2 ASN 21 18.649 31.003 1.317 132 HB3 ASN 21 HB3 ASN 21 18.156 29.500 2.092 133 HD21 ASN 21 HD21 ASN 21 18.448 31.216 -0.916 134 HD22 ASN 21 HD22 ASN 21 18.263 29.844 -1.949 135 H ILE 22 H ILE 22 14.638 31.713 3.074 136 HA ILE 22 HA ILE 22 16.422 33.175 4.903 137 HB ILE 22 HB ILE 22 14.365 34.472 5.524 138 HG12 ILE 22 HG12 ILE 22 13.192 33.235 3.029 139 HG13 ILE 22 HG13 ILE 22 12.778 32.710 4.657 140 HG21 ILE 22 HG21 ILE 22 14.471 35.094 2.713 141 HG22 ILE 22 HG22 ILE 22 15.102 36.000 4.089 142 HG23 ILE 22 HG23 ILE 22 16.081 34.738 3.341 143 HD11 ILE 22 HD11 ILE 22 12.517 35.591 4.179 144 HD12 ILE 22 HD12 ILE 22 11.417 34.567 3.256 145 HD13 ILE 22 HD13 ILE 22 11.443 34.470 5.017 146 H ALA 23 H ALA 23 15.946 30.369 5.176 147 HA ALA 23 HA ALA 23 13.964 29.885 7.169 148 HB1 ALA 23 HB1 ALA 23 14.859 28.153 5.620 149 HB2 ALA 23 HB2 ALA 23 16.372 28.191 6.525 150 HB3 ALA 23 HB3 ALA 23 14.883 27.678 7.318 151 H GLY 24 H GLY 24 14.063 30.625 9.183 152 HA2 GLY 24 HA2 GLY 24 14.877 30.989 11.309 153 HA3 GLY 24 HA3 GLY 24 16.338 30.131 10.842 154 H MET 25 H MET 25 15.423 32.738 8.819 155 HA MET 25 HA MET 25 17.736 34.252 9.733 156 HB2 MET 25 HB2 MET 25 15.952 34.471 7.314 157 HB3 MET 25 HB3 MET 25 17.177 35.674 7.694 158 HG2 MET 25 HG2 MET 25 17.742 32.747 7.290 159 HG3 MET 25 HG3 MET 25 17.890 33.976 6.035 160 HE1 MET 25 HE1 MET 25 20.538 35.397 5.842 161 HE2 MET 25 HE2 MET 25 21.462 33.928 6.159 162 HE3 MET 25 HE3 MET 25 19.917 33.833 5.315 163 H SER 26 H SER 26 17.233 36.802 9.280 164 HA SER 26 HA SER 26 15.262 37.458 11.327 165 HB2 SER 26 HB2 SER 26 16.302 39.724 11.240 166 HB3 SER 26 HB3 SER 26 17.462 38.445 11.599 167 HG SER 26 HG SER 26 18.398 39.673 10.040 168 H ALA 27 H ALA 27 14.065 36.605 9.009 169 HA ALA 27 HA ALA 27 13.235 38.995 7.547 170 HB1 ALA 27 HB1 ALA 27 11.871 36.609 6.716 171 HB2 ALA 27 HB2 ALA 27 12.991 37.629 5.814 172 HB3 ALA 27 HB3 ALA 27 13.607 36.315 6.815 173 H ALA 28 H ALA 28 10.830 39.099 7.013 174 HA ALA 28 HA ALA 28 9.383 39.408 9.427 175 HB1 ALA 28 HB1 ALA 28 8.785 39.749 6.536 176 HB2 ALA 28 HB2 ALA 28 7.430 39.648 7.661 177 HB3 ALA 28 HB3 ALA 28 8.654 40.902 7.865 178 H THR 29 H THR 29 8.382 37.905 10.578 179 HA THR 29 HA THR 29 7.362 35.511 9.192 180 HB THR 29 HB THR 29 8.016 35.333 12.086 181 HG1 THR 29 HG1 THR 29 10.067 35.716 11.788 182 HG21 THR 29 HG21 THR 29 8.427 33.067 11.591 183 HG22 THR 29 HG22 THR 29 7.031 33.499 10.603 184 HG23 THR 29 HG23 THR 29 8.632 33.394 9.870 185 H PHE 30 H PHE 30 5.312 34.863 9.624 186 HA PHE 30 HA PHE 30 3.851 35.983 11.866 187 HB2 PHE 30 HB2 PHE 30 2.077 36.948 10.534 188 HB3 PHE 30 HB3 PHE 30 3.609 37.668 10.049 189 HD1 PHE 30 HD1 PHE 30 4.795 36.476 8.028 190 HD2 PHE 30 HD2 PHE 30 0.639 36.206 8.905 191 HE1 PHE 30 HE1 PHE 30 4.345 35.858 5.689 192 HE2 PHE 30 HE2 PHE 30 0.182 35.587 6.568 193 HZ PHE 30 HZ PHE 30 2.036 35.413 4.956 194 H LYS 31 H LYS 31 2.033 34.798 12.438 195 HA LYS 31 HA LYS 31 1.945 32.114 11.329 196 HB2 LYS 31 HB2 LYS 31 1.963 32.222 13.714 197 HB3 LYS 31 HB3 LYS 31 0.653 33.396 13.735 198 HG2 LYS 31 HG2 LYS 31 -0.871 31.680 12.851 199 HG3 LYS 31 HG3 LYS 31 0.447 30.508 12.905 200 HD2 LYS 31 HD2 LYS 31 0.346 30.298 15.159 201 HD3 LYS 31 HD3 LYS 31 -0.087 31.992 15.404 202 HE2 LYS 31 HE2 LYS 31 -1.970 29.914 14.299 203 HE3 LYS 31 HE3 LYS 31 -1.879 30.348 16.005 204 HZ1 LYS 31 HZ1 LYS 31 -2.217 32.539 14.117 205 HZ2 LYS 31 HZ2 LYS 31 -3.545 31.510 14.319 206 HZ3 LYS 31 HZ3 LYS 31 -2.891 32.319 15.653 207 H CYS 32 H CYS 32 0.481 31.432 9.911 208 HA CYS 32 HA CYS 32 -1.445 33.171 8.794 209 HB2 CYS 32 HB2 CYS 32 -0.320 31.211 7.649 210 HB3 CYS 32 HB3 CYS 32 -1.414 30.162 8.542 211 HG CYS 32 HG CYS 32 -2.152 32.342 6.035 212 HA PRO 33 HA PRO 33 -4.651 32.634 11.820 213 HB2 PRO 33 HB2 PRO 33 -6.558 34.034 10.488 214 HB3 PRO 33 HB3 PRO 33 -5.229 34.809 11.358 215 HG2 PRO 33 HG2 PRO 33 -5.506 34.251 8.430 216 HG3 PRO 33 HG3 PRO 33 -4.907 35.711 9.239 217 HD2 PRO 33 HD2 PRO 33 -3.251 33.856 8.167 218 HD3 PRO 33 HD3 PRO 33 -2.820 34.805 9.605 219 H ASP 34 H ASP 34 -4.508 31.338 8.711 220 HA ASP 34 HA ASP 34 -7.158 30.137 8.791 221 HB2 ASP 34 HB2 ASP 34 -5.943 31.009 6.676 222 HB3 ASP 34 HB3 ASP 34 -5.036 29.501 6.758 223 H CYS 35 H CYS 35 -3.790 28.982 8.581 224 HA CYS 35 HA CYS 35 -4.684 26.444 9.777 225 HB2 CYS 35 HB2 CYS 35 -2.488 25.562 8.830 226 HB3 CYS 35 HB3 CYS 35 -3.737 25.970 7.661 227 HG CYS 35 HG CYS 35 -1.165 26.699 6.711 228 H GLY 36 H GLY 36 -2.086 28.861 9.824 229 HA2 GLY 36 HA2 GLY 36 -1.227 29.688 11.909 230 HA3 GLY 36 HA3 GLY 36 -1.592 28.128 12.632 231 H GLN 37 H GLN 37 -0.132 28.127 9.515 232 HA GLN 37 HA GLN 37 2.224 26.852 10.598 233 HB2 GLN 37 HB2 GLN 37 1.514 27.494 7.730 234 HB3 GLN 37 HB3 GLN 37 2.827 26.451 8.260 235 HG2 GLN 37 HG2 GLN 37 -0.036 25.891 8.954 236 HG3 GLN 37 HG3 GLN 37 0.700 25.330 7.454 237 HE21 GLN 37 HE21 GLN 37 -0.362 23.641 9.420 238 HE22 GLN 37 HE22 GLN 37 0.928 22.705 10.087 239 H GLU 38 H GLU 38 4.083 27.829 11.040 240 HA GLU 38 HA GLU 38 4.491 30.554 10.984 241 HB2 GLU 38 HB2 GLU 38 5.913 28.387 11.885 242 HB3 GLU 38 HB3 GLU 38 6.952 29.001 10.608 243 HG2 GLU 38 HG2 GLU 38 7.735 30.496 12.031 244 HG3 GLU 38 HG3 GLU 38 6.139 31.244 12.070 245 H ILE 39 H ILE 39 4.500 31.876 9.298 246 HA ILE 39 HA ILE 39 5.526 30.922 6.723 247 HB ILE 39 HB ILE 39 4.110 33.536 7.180 248 HG12 ILE 39 HG12 ILE 39 2.853 30.855 6.551 249 HG13 ILE 39 HG13 ILE 39 2.693 31.730 8.071 250 HG21 ILE 39 HG21 ILE 39 5.383 32.513 4.986 251 HG22 ILE 39 HG22 ILE 39 3.704 32.059 4.694 252 HG23 ILE 39 HG23 ILE 39 4.127 33.751 4.953 253 HD11 ILE 39 HD11 ILE 39 0.861 31.839 6.166 254 HD12 ILE 39 HD12 ILE 39 1.209 33.212 7.217 255 HD13 ILE 39 HD13 ILE 39 1.901 33.144 5.596 256 H SER 40 H SER 40 7.302 31.748 5.776 257 HA SER 40 HA SER 40 8.729 33.876 7.230 258 HB2 SER 40 HB2 SER 40 9.617 31.360 5.954 259 HB3 SER 40 HB3 SER 40 10.659 32.757 5.684 260 HG SER 40 HG SER 40 10.245 32.949 8.157 261 H ARG 41 H ARG 41 8.796 35.776 6.250 262 HA ARG 41 HA ARG 41 8.627 35.851 3.308 263 HB2 ARG 41 HB2 ARG 41 7.507 37.688 5.409 264 HB3 ARG 41 HB3 ARG 41 7.770 38.248 3.763 265 HG2 ARG 41 HG2 ARG 41 6.283 36.512 2.921 266 HG3 ARG 41 HG3 ARG 41 6.035 35.922 4.566 267 HD2 ARG 41 HD2 ARG 41 4.236 37.441 3.623 268 HD3 ARG 41 HD3 ARG 41 4.886 37.876 5.204 269 HE ARG 41 HE ARG 41 6.186 39.174 2.983 270 HH11 ARG 41 HH11 ARG 41 3.586 39.320 5.293 271 HH12 ARG 41 HH12 ARG 41 3.418 41.042 5.191 272 HH21 ARG 41 HH21 ARG 41 5.975 41.441 2.841 273 HH22 ARG 41 HH22 ARG 41 4.777 42.247 3.795 274 H CYS 42 H CYS 42 10.300 36.693 2.251 275 HA CYS 42 HA CYS 42 12.608 37.600 3.652 276 HB2 CYS 42 HB2 CYS 42 12.399 36.395 1.337 277 HB3 CYS 42 HB3 CYS 42 12.223 38.030 0.710 278 HG CYS 42 HG CYS 42 14.749 38.346 0.443 279 H SER 43 H SER 43 13.709 39.670 3.176 280 HA SER 43 HA SER 43 12.222 41.861 3.951 281 HB2 SER 43 HB2 SER 43 14.545 42.430 2.196 282 HB3 SER 43 HB3 SER 43 14.172 43.040 3.808 283 HG SER 43 HG SER 43 15.918 41.667 3.976 284 H LYS 44 H LYS 44 12.931 40.704 0.705 285 HA LYS 44 HA LYS 44 11.916 42.950 -0.687 286 HB2 LYS 44 HB2 LYS 44 11.958 40.122 -1.730 287 HB3 LYS 44 HB3 LYS 44 12.062 41.615 -2.653 288 HG2 LYS 44 HG2 LYS 44 14.155 40.539 -0.773 289 HG3 LYS 44 HG3 LYS 44 14.220 40.519 -2.537 290 HD2 LYS 44 HD2 LYS 44 14.005 43.041 -0.901 291 HD3 LYS 44 HD3 LYS 44 15.538 42.355 -1.443 292 HE2 LYS 44 HE2 LYS 44 13.576 42.608 -3.582 293 HE3 LYS 44 HE3 LYS 44 13.981 44.152 -2.834 294 HZ1 LYS 44 HZ1 LYS 44 16.076 44.085 -3.619 295 HZ2 LYS 44 HZ2 LYS 44 16.219 42.407 -3.464 296 HZ3 LYS 44 HZ3 LYS 44 15.401 43.067 -4.790 297 H CYS 45 H CYS 45 10.442 40.037 0.591 298 HA CYS 45 HA CYS 45 8.013 40.057 -0.747 299 HB2 CYS 45 HB2 CYS 45 9.080 38.499 1.176 300 HB3 CYS 45 HB3 CYS 45 7.926 39.408 2.144 301 HG CYS 45 HG CYS 45 7.127 36.746 1.035 302 H ARG 46 H ARG 46 9.202 42.174 1.719 303 HA ARG 46 HA ARG 46 6.917 43.168 2.881 304 HB2 ARG 46 HB2 ARG 46 9.403 44.669 2.043 305 HB3 ARG 46 HB3 ARG 46 8.167 45.321 3.110 306 HG2 ARG 46 HG2 ARG 46 9.621 42.768 3.720 307 HG3 ARG 46 HG3 ARG 46 10.240 44.350 4.198 308 HD2 ARG 46 HD2 ARG 46 7.597 43.134 4.989 309 HD3 ARG 46 HD3 ARG 46 9.004 43.355 6.027 310 HE ARG 46 HE ARG 46 7.053 45.329 5.323 311 HH11 ARG 46 HH11 ARG 46 10.368 44.826 6.260 312 HH12 ARG 46 HH12 ARG 46 10.554 46.411 6.935 313 HH21 ARG 46 HH21 ARG 46 7.285 47.418 6.208 314 HH22 ARG 46 HH22 ARG 46 8.799 47.884 6.906 315 H LYS 47 H LYS 47 8.225 43.854 -0.307 316 HA LYS 47 HA LYS 47 6.383 45.974 -0.879 317 HB2 LYS 47 HB2 LYS 47 8.619 45.759 -1.957 318 HB3 LYS 47 HB3 LYS 47 8.038 44.331 -2.802 319 HG2 LYS 47 HG2 LYS 47 7.992 46.329 -4.213 320 HG3 LYS 47 HG3 LYS 47 6.380 45.653 -3.967 321 HD2 LYS 47 HD2 LYS 47 5.837 47.346 -2.371 322 HD3 LYS 47 HD3 LYS 47 7.502 47.931 -2.342 323 HE2 LYS 47 HE2 LYS 47 6.137 49.419 -3.670 324 HE3 LYS 47 HE3 LYS 47 7.284 48.577 -4.712 325 HZ1 LYS 47 HZ1 LYS 47 4.411 48.497 -4.712 326 HZ2 LYS 47 HZ2 LYS 47 5.503 48.106 -5.943 327 HZ3 LYS 47 HZ3 LYS 47 5.117 46.960 -4.760 328 H GLN 48 H GLN 48 6.483 42.510 -1.406 329 HA GLN 48 HA GLN 48 4.167 42.504 -3.123 330 HB2 GLN 48 HB2 GLN 48 5.628 40.231 -1.768 331 HB3 GLN 48 HB3 GLN 48 4.352 40.042 -2.963 332 HG2 GLN 48 HG2 GLN 48 6.880 41.547 -3.544 333 HG3 GLN 48 HG3 GLN 48 6.742 39.804 -3.770 334 HE21 GLN 48 HE21 GLN 48 6.045 42.894 -5.033 335 HE22 GLN 48 HE22 GLN 48 5.221 42.380 -6.462 336 H SER 49 H SER 49 4.504 43.067 0.066 337 HA SER 49 HA SER 49 2.719 41.424 1.398 338 HB2 SER 49 HB2 SER 49 4.225 43.405 2.243 339 HB3 SER 49 HB3 SER 49 2.761 44.359 2.006 340 HG SER 49 HG SER 49 1.713 43.125 3.500 341 H ASN 50 H ASN 50 2.102 44.066 -0.797 342 HA ASN 50 HA ASN 50 -0.519 44.705 -0.223 343 HB2 ASN 50 HB2 ASN 50 0.513 44.421 -3.044 344 HB3 ASN 50 HB3 ASN 50 -0.691 45.554 -2.438 345 HD21 ASN 50 HD21 ASN 50 1.675 46.166 -3.919 346 HD22 ASN 50 HD22 ASN 50 2.653 47.180 -2.919 347 H LEU 51 H LEU 51 0.761 41.853 -1.764 348 HA LEU 51 HA LEU 51 -1.819 40.560 -1.547 349 HB2 LEU 51 HB2 LEU 51 -0.623 41.364 -4.122 350 HB3 LEU 51 HB3 LEU 51 -1.250 39.720 -4.040 351 HG LEU 51 HG LEU 51 -2.880 42.168 -3.379 352 HD11 LEU 51 HD11 LEU 51 -3.238 40.619 -5.895 353 HD12 LEU 51 HD12 LEU 51 -3.641 42.297 -5.533 354 HD13 LEU 51 HD13 LEU 51 -1.963 41.834 -5.816 355 HD21 LEU 51 HD21 LEU 51 -3.751 39.361 -4.045 356 HD22 LEU 51 HD22 LEU 51 -3.574 39.977 -2.402 357 HD23 LEU 51 HD23 LEU 51 -4.760 40.697 -3.491 358 H TYR 52 H TYR 52 -0.944 39.095 -0.139 359 HA TYR 52 HA TYR 52 1.314 37.477 -1.105 360 HB2 TYR 52 HB2 TYR 52 1.817 36.943 1.146 361 HB3 TYR 52 HB3 TYR 52 1.456 38.666 1.143 362 HD1 TYR 52 HD1 TYR 52 -0.950 39.352 1.789 363 HD2 TYR 52 HD2 TYR 52 0.705 35.521 2.620 364 HE1 TYR 52 HE1 TYR 52 -2.646 39.005 3.535 365 HE2 TYR 52 HE2 TYR 52 -0.988 35.163 4.368 366 HH TYR 52 HH TYR 52 -3.744 36.965 4.654 367 H GLU 53 H GLU 53 1.176 35.149 -0.060 368 HA GLU 53 HA GLU 53 -1.478 34.036 0.043 369 HB2 GLU 53 HB2 GLU 53 -1.262 34.153 -2.351 370 HB3 GLU 53 HB3 GLU 53 0.345 33.441 -2.290 371 HG2 GLU 53 HG2 GLU 53 -0.671 31.361 -1.397 372 HG3 GLU 53 HG3 GLU 53 -2.260 32.084 -1.642 373 H CYS 54 H CYS 54 -1.342 32.648 1.666 374 HA CYS 54 HA CYS 54 1.030 31.665 2.759 375 HB2 CYS 54 HB2 CYS 54 -1.141 31.796 3.961 376 HB3 CYS 54 HB3 CYS 54 -1.730 30.449 2.996 377 HG CYS 54 HG CYS 54 1.138 29.748 4.537 378 HA PRO 55 HA PRO 55 1.882 28.588 -0.390 379 HB2 PRO 55 HB2 PRO 55 4.317 27.907 0.598 380 HB3 PRO 55 HB3 PRO 55 4.045 29.361 -0.370 381 HG2 PRO 55 HG2 PRO 55 4.258 29.076 2.603 382 HG3 PRO 55 HG3 PRO 55 4.961 30.313 1.544 383 HD2 PRO 55 HD2 PRO 55 2.716 30.743 2.995 384 HD3 PRO 55 HD3 PRO 55 2.990 31.502 1.414 385 H ASP 56 H ASP 56 1.397 28.254 2.956 386 HA ASP 56 HA ASP 56 1.923 25.418 3.086 387 HB2 ASP 56 HB2 ASP 56 0.400 27.050 5.114 388 HB3 ASP 56 HB3 ASP 56 1.292 25.553 5.372 389 H CYS 57 H CYS 57 -0.999 27.440 3.404 390 HA CYS 57 HA CYS 57 -2.593 25.096 2.608 391 HB2 CYS 57 HB2 CYS 57 -4.494 26.199 3.723 392 HB3 CYS 57 HB3 CYS 57 -3.156 25.925 4.833 393 HG CYS 57 HG CYS 57 -3.824 28.321 5.707 394 H GLY 58 H GLY 58 -1.174 27.155 0.917 395 HA2 GLY 58 HA2 GLY 58 -1.592 28.502 -0.909 396 HA3 GLY 58 HA3 GLY 58 -2.825 27.295 -1.243 397 H PHE 59 H PHE 59 -2.679 29.651 1.400 398 HA PHE 59 HA PHE 59 -5.352 30.558 0.665 399 HB2 PHE 59 HB2 PHE 59 -5.105 30.022 2.984 400 HB3 PHE 59 HB3 PHE 59 -3.644 30.996 3.116 401 HD1 PHE 59 HD1 PHE 59 -6.973 31.758 1.629 402 HD2 PHE 59 HD2 PHE 59 -4.083 32.691 4.611 403 HE1 PHE 59 HE1 PHE 59 -8.328 33.686 2.335 404 HE2 PHE 59 HE2 PHE 59 -5.434 34.620 5.323 405 HZ PHE 59 HZ PHE 59 -7.559 35.121 4.184 406 H MET 60 H MET 60 -5.281 32.035 -0.930 407 HA MET 60 HA MET 60 -3.194 34.006 -1.101 408 HB2 MET 60 HB2 MET 60 -5.780 33.797 -2.654 409 HB3 MET 60 HB3 MET 60 -4.409 34.820 -3.062 410 HG2 MET 60 HG2 MET 60 -3.177 33.094 -3.868 411 HG3 MET 60 HG3 MET 60 -3.901 31.919 -2.773 412 HE1 MET 60 HE1 MET 60 -4.382 30.184 -3.772 413 HE2 MET 60 HE2 MET 60 -6.076 30.043 -4.243 414 HE3 MET 60 HE3 MET 60 -4.810 29.957 -5.468 415 H GLY 61 H GLY 61 -3.152 35.889 -0.071 416 HA2 GLY 61 HA2 GLY 61 -5.713 37.161 0.643 417 HA3 GLY 61 HA3 GLY 61 -4.451 36.975 1.852 418 HA PRO 62 HA PRO 62 -4.040 41.057 -0.471 419 HB2 PRO 62 HB2 PRO 62 -4.475 42.679 1.662 420 HB3 PRO 62 HB3 PRO 62 -5.776 42.099 0.615 421 HG2 PRO 62 HG2 PRO 62 -4.893 41.074 3.286 422 HG3 PRO 62 HG3 PRO 62 -6.538 41.329 2.673 423 HD2 PRO 62 HD2 PRO 62 -5.371 38.887 2.741 424 HD3 PRO 62 HD3 PRO 62 -6.538 39.353 1.486 Start of MODEL 13 1 H1 GLY 1 H GLY 1 4.714 25.353 -10.045 2 HA2 GLY 1 HA2 GLY 1 5.575 23.309 -10.960 3 HA3 GLY 1 HA3 GLY 1 6.854 23.353 -9.755 4 H ALA 2 H ALA 2 6.331 21.169 -9.226 5 HA ALA 2 HA ALA 2 3.790 20.827 -7.785 6 HB1 ALA 2 HB1 ALA 2 4.200 19.246 -9.619 7 HB2 ALA 2 HB2 ALA 2 5.676 18.710 -8.815 8 HB3 ALA 2 HB3 ALA 2 4.108 18.435 -8.056 9 H MET 3 H MET 3 3.940 21.113 -5.664 10 HA MET 3 HA MET 3 6.459 20.835 -4.282 11 HB2 MET 3 HB2 MET 3 5.068 22.657 -3.604 12 HB3 MET 3 HB3 MET 3 3.686 21.596 -3.368 13 HG2 MET 3 HG2 MET 3 4.514 20.738 -1.390 14 HG3 MET 3 HG3 MET 3 6.173 21.194 -1.769 15 HE1 MET 3 HE1 MET 3 4.478 21.882 1.164 16 HE2 MET 3 HE2 MET 3 3.446 23.298 0.961 17 HE3 MET 3 HE3 MET 3 3.106 21.821 0.059 18 H GLY 4 H GLY 4 7.044 19.265 -2.842 19 HA2 GLY 4 HA2 GLY 4 5.306 16.886 -2.787 20 HA3 GLY 4 HA3 GLY 4 7.052 16.868 -2.589 21 H SER 5 H SER 5 5.207 15.611 -0.846 22 HA SER 5 HA SER 5 5.312 17.298 1.558 23 HB2 SER 5 HB2 SER 5 3.122 16.227 0.807 24 HB3 SER 5 HB3 SER 5 3.831 14.682 1.276 25 HG SER 5 HG SER 5 2.539 15.801 2.917 26 H GLU 6 H GLU 6 5.720 13.850 0.723 27 HA GLU 6 HA GLU 6 7.185 13.205 3.041 28 HB2 GLU 6 HB2 GLU 6 5.992 11.693 1.245 29 HB3 GLU 6 HB3 GLU 6 7.582 11.690 0.494 30 HG2 GLU 6 HG2 GLU 6 8.408 11.005 2.857 31 HG3 GLU 6 HG3 GLU 6 6.725 10.548 3.113 32 H SER 7 H SER 7 8.212 14.064 -0.239 33 HA SER 7 HA SER 7 10.959 13.658 0.096 34 HB2 SER 7 HB2 SER 7 9.271 15.250 -1.775 35 HB3 SER 7 HB3 SER 7 10.997 15.611 -1.720 36 HG SER 7 HG SER 7 11.183 13.953 -2.988 37 H GLU 8 H GLU 8 9.091 16.682 0.373 38 HA GLU 8 HA GLU 8 11.206 18.316 1.183 39 HB2 GLU 8 HB2 GLU 8 8.242 18.494 1.718 40 HB3 GLU 8 HB3 GLU 8 9.377 19.749 2.195 41 HG2 GLU 8 HG2 GLU 8 8.899 18.798 -0.620 42 HG3 GLU 8 HG3 GLU 8 8.257 20.276 0.093 43 H GLN 9 H GLN 9 11.739 19.164 3.266 44 HA GLN 9 HA GLN 9 12.088 17.204 5.243 45 HB2 GLN 9 HB2 GLN 9 12.229 20.207 5.564 46 HB3 GLN 9 HB3 GLN 9 12.933 19.015 6.648 47 HG2 GLN 9 HG2 GLN 9 14.261 18.222 4.613 48 HG3 GLN 9 HG3 GLN 9 13.768 19.740 3.866 49 HE21 GLN 9 HE21 GLN 9 16.400 19.238 4.196 50 HE22 GLN 9 HE22 GLN 9 17.058 20.249 5.432 51 H ARG 10 H ARG 10 11.471 17.962 7.659 52 HA ARG 10 HA ARG 10 8.536 18.209 7.652 53 HB2 ARG 10 HB2 ARG 10 10.258 16.923 9.775 54 HB3 ARG 10 HB3 ARG 10 8.502 16.900 9.680 55 HG2 ARG 10 HG2 ARG 10 10.390 15.597 7.728 56 HG3 ARG 10 HG3 ARG 10 9.464 14.775 8.986 57 HD2 ARG 10 HD2 ARG 10 7.441 15.977 7.794 58 HD3 ARG 10 HD3 ARG 10 8.548 15.977 6.421 59 HE ARG 10 HE ARG 10 8.566 13.405 7.410 60 HH11 ARG 10 HH11 ARG 10 6.206 15.603 6.099 61 HH12 ARG 10 HH12 ARG 10 5.211 14.348 5.439 62 HH21 ARG 10 HH21 ARG 10 7.265 11.743 6.546 63 HH22 ARG 10 HH22 ARG 10 5.814 12.152 5.695 64 H HIS 11 H HIS 11 11.521 19.293 9.142 65 HA HIS 11 HA HIS 11 9.999 21.421 10.499 66 HB2 HIS 11 HB2 HIS 11 12.202 19.681 11.485 67 HB3 HIS 11 HB3 HIS 11 12.205 21.363 12.006 68 HD1 HIS 11 HD1 HIS 11 11.390 21.260 14.349 69 HD2 HIS 11 HD2 HIS 11 9.066 18.961 11.785 70 HE1 HIS 11 HE1 HIS 11 9.465 20.437 15.742 71 H ALA 12 H ALA 12 10.250 23.025 9.010 72 HA ALA 12 HA ALA 12 12.648 24.487 8.984 73 HB1 ALA 12 HB1 ALA 12 13.838 23.532 7.374 74 HB2 ALA 12 HB2 ALA 12 12.548 22.370 7.061 75 HB3 ALA 12 HB3 ALA 12 12.555 23.925 6.229 76 H HIS 13 H HIS 13 11.967 26.509 8.791 77 HA HIS 13 HA HIS 13 9.396 27.080 7.591 78 HB2 HIS 13 HB2 HIS 13 11.349 29.068 8.752 79 HB3 HIS 13 HB3 HIS 13 9.613 29.267 8.530 80 HD1 HIS 13 HD1 HIS 13 8.171 28.681 10.475 81 HD2 HIS 13 HD2 HIS 13 11.998 27.102 10.823 82 HE1 HIS 13 HE1 HIS 13 8.278 27.679 12.779 83 H GLN 14 H GLN 14 9.397 27.090 5.420 84 HA GLN 14 HA GLN 14 11.558 28.514 4.028 85 HB2 GLN 14 HB2 GLN 14 9.810 26.222 3.327 86 HB3 GLN 14 HB3 GLN 14 10.236 27.318 2.020 87 HG2 GLN 14 HG2 GLN 14 12.403 26.685 2.005 88 HG3 GLN 14 HG3 GLN 14 12.449 26.407 3.745 89 HE21 GLN 14 HE21 GLN 14 11.514 25.065 0.655 90 HE22 GLN 14 HE22 GLN 14 11.458 23.416 1.170 91 H CYS 15 H CYS 15 10.833 29.640 1.972 92 HA CYS 15 HA CYS 15 8.933 31.635 2.656 93 HB2 CYS 15 HB2 CYS 15 10.963 31.920 1.159 94 HB3 CYS 15 HB3 CYS 15 10.045 31.104 -0.100 95 HG CYS 15 HG CYS 15 9.412 33.452 -0.997 96 H VAL 16 H VAL 16 6.850 31.931 2.036 97 HA VAL 16 HA VAL 16 5.353 29.654 1.217 98 HB VAL 16 HB VAL 16 3.404 31.078 1.311 99 HG11 VAL 16 HG11 VAL 16 4.655 30.342 3.422 100 HG12 VAL 16 HG12 VAL 16 5.165 32.026 3.547 101 HG13 VAL 16 HG13 VAL 16 3.450 31.619 3.585 102 HG21 VAL 16 HG21 VAL 16 3.659 33.515 1.783 103 HG22 VAL 16 HG22 VAL 16 5.380 33.352 1.432 104 HG23 VAL 16 HG23 VAL 16 4.189 33.034 0.171 105 H SER 17 H SER 17 6.759 32.357 -0.446 106 HA SER 17 HA SER 17 5.186 32.071 -2.832 107 HB2 SER 17 HB2 SER 17 5.982 34.238 -2.632 108 HB3 SER 17 HB3 SER 17 7.551 33.716 -2.019 109 HG SER 17 HG SER 17 8.247 33.808 -3.987 110 H CYS 18 H CYS 18 8.666 31.590 -2.200 111 HA CYS 18 HA CYS 18 8.688 29.597 -4.366 112 HB2 CYS 18 HB2 CYS 18 10.175 31.478 -4.785 113 HB3 CYS 18 HB3 CYS 18 10.946 31.252 -3.219 114 HG CYS 18 HG CYS 18 12.486 29.207 -3.850 115 H GLY 19 H GLY 19 10.858 30.159 -1.604 116 HA2 GLY 19 HA2 GLY 19 10.270 28.280 0.185 117 HA3 GLY 19 HA3 GLY 19 10.916 27.288 -1.113 118 H ILE 20 H ILE 20 12.005 30.506 -0.144 119 HA ILE 20 HA ILE 20 14.718 29.899 -0.242 120 HB ILE 20 HB ILE 20 13.355 32.030 1.410 121 HG12 ILE 20 HG12 ILE 20 14.559 33.239 -0.754 122 HG13 ILE 20 HG13 ILE 20 13.953 31.738 -1.445 123 HG21 ILE 20 HG21 ILE 20 15.613 31.625 2.201 124 HG22 ILE 20 HG22 ILE 20 16.236 31.766 0.557 125 HG23 ILE 20 HG23 ILE 20 15.531 33.171 1.357 126 HD11 ILE 20 HD11 ILE 20 12.499 33.945 -1.333 127 HD12 ILE 20 HD12 ILE 20 11.785 32.338 -1.191 128 HD13 ILE 20 HD13 ILE 20 12.101 33.294 0.257 129 H ASN 21 H ASN 21 16.248 29.335 1.275 130 HA ASN 21 HA ASN 21 15.308 27.758 3.481 131 HB2 ASN 21 HB2 ASN 21 17.336 27.261 2.002 132 HB3 ASN 21 HB3 ASN 21 18.180 28.497 2.930 133 HD21 ASN 21 HD21 ASN 21 16.200 25.595 3.407 134 HD22 ASN 21 HD22 ASN 21 17.104 24.992 4.750 135 H ILE 22 H ILE 22 14.275 29.968 4.230 136 HA ILE 22 HA ILE 22 16.155 31.438 5.933 137 HB ILE 22 HB ILE 22 14.312 33.047 6.260 138 HG12 ILE 22 HG12 ILE 22 12.842 31.289 4.283 139 HG13 ILE 22 HG13 ILE 22 12.429 31.499 5.982 140 HG21 ILE 22 HG21 ILE 22 14.263 33.010 3.373 141 HG22 ILE 22 HG22 ILE 22 15.055 34.140 4.471 142 HG23 ILE 22 HG23 ILE 22 15.874 32.653 3.994 143 HD11 ILE 22 HD11 ILE 22 12.542 34.066 4.807 144 HD12 ILE 22 HD12 ILE 22 11.594 33.025 3.746 145 HD13 ILE 22 HD13 ILE 22 11.140 33.204 5.440 146 H ALA 23 H ALA 23 15.415 28.765 6.636 147 HA ALA 23 HA ALA 23 13.428 28.900 8.717 148 HB1 ALA 23 HB1 ALA 23 13.907 26.584 9.101 149 HB2 ALA 23 HB2 ALA 23 13.851 26.856 7.360 150 HB3 ALA 23 HB3 ALA 23 15.405 26.691 8.176 151 H GLY 24 H GLY 24 13.820 29.843 10.607 152 HA2 GLY 24 HA2 GLY 24 14.853 30.373 12.591 153 HA3 GLY 24 HA3 GLY 24 15.983 29.066 12.268 154 H MET 25 H MET 25 15.723 31.456 9.828 155 HA MET 25 HA MET 25 18.356 32.496 10.605 156 HB2 MET 25 HB2 MET 25 16.926 32.402 7.950 157 HB3 MET 25 HB3 MET 25 18.411 33.308 8.205 158 HG2 MET 25 HG2 MET 25 18.167 30.362 8.738 159 HG3 MET 25 HG3 MET 25 18.675 31.031 7.189 160 HE1 MET 25 HE1 MET 25 20.573 31.131 6.504 161 HE2 MET 25 HE2 MET 25 21.863 32.104 7.211 162 HE3 MET 25 HE3 MET 25 21.903 30.347 7.357 163 H SER 26 H SER 26 15.764 33.903 8.624 164 HA SER 26 HA SER 26 14.951 35.883 10.424 165 HB2 SER 26 HB2 SER 26 16.120 37.823 9.097 166 HB3 SER 26 HB3 SER 26 16.986 37.003 10.395 167 HG SER 26 HG SER 26 18.385 36.971 8.734 168 H ALA 27 H ALA 27 13.046 36.565 9.703 169 HA ALA 27 HA ALA 27 12.503 37.500 7.123 170 HB1 ALA 27 HB1 ALA 27 12.663 34.740 7.127 171 HB2 ALA 27 HB2 ALA 27 10.932 35.062 7.215 172 HB3 ALA 27 HB3 ALA 27 11.890 35.742 5.899 173 H ALA 28 H ALA 28 10.118 37.786 6.747 174 HA ALA 28 HA ALA 28 8.912 38.899 9.037 175 HB1 ALA 28 HB1 ALA 28 7.884 38.303 6.279 176 HB2 ALA 28 HB2 ALA 28 6.869 39.034 7.522 177 HB3 ALA 28 HB3 ALA 28 8.329 39.860 6.976 178 H THR 29 H THR 29 8.329 37.643 10.704 179 HA THR 29 HA THR 29 6.949 35.111 10.175 180 HB THR 29 HB THR 29 7.308 35.461 12.960 181 HG1 THR 29 HG1 THR 29 9.386 36.092 13.164 182 HG21 THR 29 HG21 THR 29 8.751 33.520 12.743 183 HG22 THR 29 HG22 THR 29 7.350 33.342 11.687 184 HG23 THR 29 HG23 THR 29 8.912 33.802 11.010 185 H PHE 30 H PHE 30 4.808 35.243 10.072 186 HA PHE 30 HA PHE 30 3.416 36.906 12.060 187 HB2 PHE 30 HB2 PHE 30 1.655 37.282 10.269 188 HB3 PHE 30 HB3 PHE 30 3.182 38.125 10.035 189 HD1 PHE 30 HD1 PHE 30 4.814 37.268 8.368 190 HD2 PHE 30 HD2 PHE 30 0.875 35.692 8.709 191 HE1 PHE 30 HE1 PHE 30 5.023 36.271 6.128 192 HE2 PHE 30 HE2 PHE 30 1.078 34.692 6.471 193 HZ PHE 30 HZ PHE 30 3.154 34.980 5.177 194 H LYS 31 H LYS 31 1.243 36.199 12.573 195 HA LYS 31 HA LYS 31 1.024 33.282 12.443 196 HB2 LYS 31 HB2 LYS 31 0.932 34.162 14.674 197 HB3 LYS 31 HB3 LYS 31 -0.291 35.341 14.217 198 HG2 LYS 31 HG2 LYS 31 -1.923 33.604 13.901 199 HG3 LYS 31 HG3 LYS 31 -0.704 32.359 14.186 200 HD2 LYS 31 HD2 LYS 31 -0.882 32.552 16.409 201 HD3 LYS 31 HD3 LYS 31 -0.855 34.315 16.341 202 HE2 LYS 31 HE2 LYS 31 -3.236 34.291 15.685 203 HE3 LYS 31 HE3 LYS 31 -3.242 32.536 15.849 204 HZ1 LYS 31 HZ1 LYS 31 -3.732 32.831 17.975 205 HZ2 LYS 31 HZ2 LYS 31 -2.211 33.533 18.213 206 HZ3 LYS 31 HZ3 LYS 31 -3.546 34.508 17.854 207 H CYS 32 H CYS 32 -0.356 32.351 11.094 208 HA CYS 32 HA CYS 32 -2.078 33.827 9.410 209 HB2 CYS 32 HB2 CYS 32 -1.024 31.577 8.913 210 HB3 CYS 32 HB3 CYS 32 -2.247 30.862 9.957 211 HG CYS 32 HG CYS 32 -2.706 32.405 6.949 212 HA PRO 33 HA PRO 33 -5.518 34.284 12.173 213 HB2 PRO 33 HB2 PRO 33 -7.246 35.310 10.348 214 HB3 PRO 33 HB3 PRO 33 -5.936 36.254 11.067 215 HG2 PRO 33 HG2 PRO 33 -6.047 34.888 8.405 216 HG3 PRO 33 HG3 PRO 33 -5.420 36.496 8.813 217 HD2 PRO 33 HD2 PRO 33 -3.806 34.353 8.450 218 HD3 PRO 33 HD3 PRO 33 -3.419 35.658 9.590 219 H ASP 34 H ASP 34 -5.239 32.142 9.585 220 HA ASP 34 HA ASP 34 -7.954 31.108 9.803 221 HB2 ASP 34 HB2 ASP 34 -6.543 31.316 7.622 222 HB3 ASP 34 HB3 ASP 34 -5.780 29.829 8.176 223 H CYS 35 H CYS 35 -4.634 29.872 10.195 224 HA CYS 35 HA CYS 35 -5.721 27.789 11.972 225 HB2 CYS 35 HB2 CYS 35 -3.524 26.600 11.447 226 HB3 CYS 35 HB3 CYS 35 -4.701 26.695 10.142 227 HG CYS 35 HG CYS 35 -2.355 27.083 8.855 228 H GLY 36 H GLY 36 -2.996 30.014 11.495 229 HA2 GLY 36 HA2 GLY 36 -2.205 31.370 13.317 230 HA3 GLY 36 HA3 GLY 36 -2.675 30.085 14.421 231 H GLN 37 H GLN 37 -1.069 29.187 11.508 232 HA GLN 37 HA GLN 37 1.169 28.176 13.033 233 HB2 GLN 37 HB2 GLN 37 0.588 28.036 10.069 234 HB3 GLN 37 HB3 GLN 37 1.878 27.173 10.896 235 HG2 GLN 37 HG2 GLN 37 -0.977 26.813 11.710 236 HG3 GLN 37 HG3 GLN 37 -0.300 25.927 10.344 237 HE21 GLN 37 HE21 GLN 37 -1.052 25.586 13.437 238 HE22 GLN 37 HE22 GLN 37 0.158 24.465 13.950 239 H GLU 38 H GLU 38 3.313 28.776 12.821 240 HA GLU 38 HA GLU 38 3.807 31.511 12.278 241 HB2 GLU 38 HB2 GLU 38 5.069 29.678 13.774 242 HB3 GLU 38 HB3 GLU 38 6.088 29.609 12.343 243 HG2 GLU 38 HG2 GLU 38 7.199 31.248 13.398 244 HG3 GLU 38 HG3 GLU 38 5.958 32.265 12.669 245 H ILE 39 H ILE 39 3.876 32.380 10.321 246 HA ILE 39 HA ILE 39 4.860 30.769 8.072 247 HB ILE 39 HB ILE 39 3.406 33.405 7.908 248 HG12 ILE 39 HG12 ILE 39 2.262 30.610 7.711 249 HG13 ILE 39 HG13 ILE 39 2.012 31.720 9.055 250 HG21 ILE 39 HG21 ILE 39 3.070 32.878 5.615 251 HG22 ILE 39 HG22 ILE 39 4.780 32.619 5.959 252 HG23 ILE 39 HG23 ILE 39 3.687 31.241 5.836 253 HD11 ILE 39 HD11 ILE 39 0.163 31.520 7.322 254 HD12 ILE 39 HD12 ILE 39 0.679 33.145 7.775 255 HD13 ILE 39 HD13 ILE 39 1.227 32.437 6.256 256 H SER 40 H SER 40 6.879 31.090 7.442 257 HA SER 40 HA SER 40 8.152 33.677 8.015 258 HB2 SER 40 HB2 SER 40 9.505 31.060 7.328 259 HB3 SER 40 HB3 SER 40 10.277 32.531 7.919 260 HG SER 40 HG SER 40 9.897 31.820 9.847 261 H ARG 41 H ARG 41 8.126 35.020 6.342 262 HA ARG 41 HA ARG 41 8.536 33.908 3.643 263 HB2 ARG 41 HB2 ARG 41 7.058 36.418 4.457 264 HB3 ARG 41 HB3 ARG 41 7.329 35.896 2.799 265 HG2 ARG 41 HG2 ARG 41 6.076 33.795 3.362 266 HG3 ARG 41 HG3 ARG 41 5.648 34.554 4.897 267 HD2 ARG 41 HD2 ARG 41 4.977 35.551 2.132 268 HD3 ARG 41 HD3 ARG 41 3.856 34.867 3.309 269 HE ARG 41 HE ARG 41 5.191 37.125 4.383 270 HH11 ARG 41 HH11 ARG 41 2.677 36.213 2.154 271 HH12 ARG 41 HH12 ARG 41 1.797 37.694 2.339 272 HH21 ARG 41 HH21 ARG 41 4.041 39.078 4.635 273 HH22 ARG 41 HH22 ARG 41 2.574 39.323 3.750 274 H CYS 42 H CYS 42 10.320 34.501 2.599 275 HA CYS 42 HA CYS 42 12.286 36.123 3.806 276 HB2 CYS 42 HB2 CYS 42 12.468 34.241 1.977 277 HB3 CYS 42 HB3 CYS 42 12.299 35.590 0.860 278 HG CYS 42 HG CYS 42 14.682 36.606 1.142 279 H SER 43 H SER 43 13.296 38.039 2.748 280 HA SER 43 HA SER 43 11.587 40.195 2.659 281 HB2 SER 43 HB2 SER 43 14.328 39.808 1.457 282 HB3 SER 43 HB3 SER 43 13.487 41.357 1.400 283 HG SER 43 HG SER 43 13.417 41.322 3.678 284 H LYS 44 H LYS 44 12.589 38.079 0.048 285 HA LYS 44 HA LYS 44 11.801 39.538 -2.166 286 HB2 LYS 44 HB2 LYS 44 11.690 36.566 -1.646 287 HB3 LYS 44 HB3 LYS 44 11.350 37.277 -3.219 288 HG2 LYS 44 HG2 LYS 44 13.931 37.760 -1.765 289 HG3 LYS 44 HG3 LYS 44 13.689 36.383 -2.842 290 HD2 LYS 44 HD2 LYS 44 13.193 37.883 -4.687 291 HD3 LYS 44 HD3 LYS 44 13.341 39.280 -3.618 292 HE2 LYS 44 HE2 LYS 44 15.424 39.274 -4.563 293 HE3 LYS 44 HE3 LYS 44 15.721 38.251 -3.158 294 HZ1 LYS 44 HZ1 LYS 44 15.346 37.428 -5.973 295 HZ2 LYS 44 HZ2 LYS 44 16.660 37.119 -4.954 296 HZ3 LYS 44 HZ3 LYS 44 15.186 36.329 -4.697 297 H CYS 45 H CYS 45 9.856 37.906 0.213 298 HA CYS 45 HA CYS 45 7.458 37.569 -1.111 299 HB2 CYS 45 HB2 CYS 45 6.433 37.433 0.992 300 HB3 CYS 45 HB3 CYS 45 8.100 36.971 1.313 301 HG CYS 45 HG CYS 45 6.376 39.651 2.380 302 H ARG 46 H ARG 46 9.006 40.498 -0.118 303 HA ARG 46 HA ARG 46 6.947 42.294 0.126 304 HB2 ARG 46 HB2 ARG 46 9.684 42.581 -1.094 305 HB3 ARG 46 HB3 ARG 46 8.583 43.947 -0.977 306 HG2 ARG 46 HG2 ARG 46 8.512 43.715 1.438 307 HG3 ARG 46 HG3 ARG 46 9.562 42.299 1.345 308 HD2 ARG 46 HD2 ARG 46 10.947 44.130 1.929 309 HD3 ARG 46 HD3 ARG 46 11.268 43.779 0.231 310 HE ARG 46 HE ARG 46 9.258 45.779 0.560 311 HH11 ARG 46 HH11 ARG 46 12.694 45.221 0.560 312 HH12 ARG 46 HH12 ARG 46 13.090 46.849 0.119 313 HH21 ARG 46 HH21 ARG 46 9.766 47.925 -0.022 314 HH22 ARG 46 HH22 ARG 46 11.424 48.387 -0.211 315 H LYS 47 H LYS 47 8.246 40.865 -2.807 316 HA LYS 47 HA LYS 47 6.652 42.536 -4.543 317 HB2 LYS 47 HB2 LYS 47 8.357 40.102 -5.097 318 HB3 LYS 47 HB3 LYS 47 7.538 41.039 -6.339 319 HG2 LYS 47 HG2 LYS 47 9.587 42.166 -4.445 320 HG3 LYS 47 HG3 LYS 47 9.942 41.585 -6.073 321 HD2 LYS 47 HD2 LYS 47 8.410 43.243 -7.005 322 HD3 LYS 47 HD3 LYS 47 8.026 43.812 -5.379 323 HE2 LYS 47 HE2 LYS 47 10.178 44.694 -5.064 324 HE3 LYS 47 HE3 LYS 47 10.843 43.784 -6.420 325 HZ1 LYS 47 HZ1 LYS 47 8.718 45.740 -6.938 326 HZ2 LYS 47 HZ2 LYS 47 10.288 46.305 -6.657 327 HZ3 LYS 47 HZ3 LYS 47 9.989 45.241 -7.938 328 H GLN 48 H GLN 48 6.494 39.310 -3.176 329 HA GLN 48 HA GLN 48 4.226 38.532 -4.779 330 HB2 GLN 48 HB2 GLN 48 5.402 37.209 -2.328 331 HB3 GLN 48 HB3 GLN 48 4.234 36.492 -3.431 332 HG2 GLN 48 HG2 GLN 48 6.788 37.468 -4.575 333 HG3 GLN 48 HG3 GLN 48 6.827 36.002 -3.597 334 HE21 GLN 48 HE21 GLN 48 7.536 35.830 -6.184 335 HE22 GLN 48 HE22 GLN 48 6.323 35.007 -7.097 336 H SER 49 H SER 49 4.532 40.656 -2.330 337 HA SER 49 HA SER 49 2.580 40.038 -0.459 338 HB2 SER 49 HB2 SER 49 3.631 42.642 -1.529 339 HB3 SER 49 HB3 SER 49 2.317 42.626 -0.353 340 HG SER 49 HG SER 49 4.015 42.618 0.946 341 H ASN 50 H ASN 50 2.260 41.310 -3.707 342 HA ASN 50 HA ASN 50 -0.330 42.268 -3.678 343 HB2 ASN 50 HB2 ASN 50 1.009 42.555 -5.642 344 HB3 ASN 50 HB3 ASN 50 1.183 40.815 -5.851 345 HD21 ASN 50 HD21 ASN 50 0.089 40.154 -7.541 346 HD22 ASN 50 HD22 ASN 50 -1.482 40.693 -8.017 347 H LEU 51 H LEU 51 0.807 38.952 -3.771 348 HA LEU 51 HA LEU 51 -1.826 38.013 -3.032 349 HB2 LEU 51 HB2 LEU 51 -1.553 38.107 -5.626 350 HB3 LEU 51 HB3 LEU 51 -0.574 36.661 -5.384 351 HG LEU 51 HG LEU 51 -2.878 36.126 -6.025 352 HD11 LEU 51 HD11 LEU 51 -1.463 34.708 -4.444 353 HD12 LEU 51 HD12 LEU 51 -2.497 35.328 -3.157 354 HD13 LEU 51 HD13 LEU 51 -3.199 34.398 -4.480 355 HD21 LEU 51 HD21 LEU 51 -3.497 38.151 -4.117 356 HD22 LEU 51 HD22 LEU 51 -4.579 37.297 -5.217 357 HD23 LEU 51 HD23 LEU 51 -4.256 36.641 -3.612 358 H TYR 52 H TYR 52 -1.558 36.560 -1.481 359 HA TYR 52 HA TYR 52 0.809 34.816 -1.563 360 HB2 TYR 52 HB2 TYR 52 1.275 35.140 0.724 361 HB3 TYR 52 HB3 TYR 52 0.974 36.758 0.099 362 HD1 TYR 52 HD1 TYR 52 -1.621 37.460 0.247 363 HD2 TYR 52 HD2 TYR 52 0.309 34.607 2.744 364 HE1 TYR 52 HE1 TYR 52 -3.345 37.807 1.966 365 HE2 TYR 52 HE2 TYR 52 -1.410 34.946 4.470 366 HH TYR 52 HH TYR 52 -3.988 37.344 4.049 367 H GLU 53 H GLU 53 0.537 32.975 0.097 368 HA GLU 53 HA GLU 53 -2.173 32.164 0.640 369 HB2 GLU 53 HB2 GLU 53 -2.052 31.504 -1.683 370 HB3 GLU 53 HB3 GLU 53 -0.518 30.690 -1.413 371 HG2 GLU 53 HG2 GLU 53 -1.721 29.158 0.166 372 HG3 GLU 53 HG3 GLU 53 -3.226 29.886 -0.392 373 H CYS 54 H CYS 54 -2.165 31.107 2.507 374 HA CYS 54 HA CYS 54 0.231 30.428 3.842 375 HB2 CYS 54 HB2 CYS 54 -1.868 31.072 4.997 376 HB3 CYS 54 HB3 CYS 54 -2.590 29.549 4.490 377 HG CYS 54 HG CYS 54 0.226 29.641 6.418 378 HA PRO 55 HA PRO 55 0.780 26.488 1.783 379 HB2 PRO 55 HB2 PRO 55 3.177 25.945 2.936 380 HB3 PRO 55 HB3 PRO 55 2.996 27.061 1.578 381 HG2 PRO 55 HG2 PRO 55 3.247 27.660 4.500 382 HG3 PRO 55 HG3 PRO 55 4.020 28.466 3.122 383 HD2 PRO 55 HD2 PRO 55 1.843 29.482 4.372 384 HD3 PRO 55 HD3 PRO 55 2.142 29.711 2.637 385 H ASP 56 H ASP 56 0.396 27.206 5.094 386 HA ASP 56 HA ASP 56 0.691 24.506 6.058 387 HB2 ASP 56 HB2 ASP 56 -0.676 26.759 7.519 388 HB3 ASP 56 HB3 ASP 56 0.155 25.362 8.198 389 H CYS 57 H CYS 57 -2.073 26.751 5.819 390 HA CYS 57 HA CYS 57 -3.855 24.411 5.759 391 HB2 CYS 57 HB2 CYS 57 -5.643 25.981 6.443 392 HB3 CYS 57 HB3 CYS 57 -4.323 25.920 7.605 393 HG CYS 57 HG CYS 57 -4.013 28.336 5.305 394 H GLY 58 H GLY 58 -2.322 25.695 3.505 395 HA2 GLY 58 HA2 GLY 58 -2.679 26.442 1.349 396 HA3 GLY 58 HA3 GLY 58 -3.994 25.278 1.405 397 H PHE 59 H PHE 59 -3.689 28.299 3.220 398 HA PHE 59 HA PHE 59 -6.304 29.110 2.245 399 HB2 PHE 59 HB2 PHE 59 -5.982 29.364 4.602 400 HB3 PHE 59 HB3 PHE 59 -4.467 30.228 4.364 401 HD1 PHE 59 HD1 PHE 59 -7.811 30.669 2.787 402 HD2 PHE 59 HD2 PHE 59 -4.745 32.350 5.214 403 HE1 PHE 59 HE1 PHE 59 -9.027 32.807 2.835 404 HE2 PHE 59 HE2 PHE 59 -5.957 34.491 5.267 405 HZ PHE 59 HZ PHE 59 -8.100 34.722 4.076 406 H MET 60 H MET 60 -6.293 30.037 0.291 407 HA MET 60 HA MET 60 -4.089 31.695 -0.578 408 HB2 MET 60 HB2 MET 60 -6.711 31.088 -1.956 409 HB3 MET 60 HB3 MET 60 -5.306 31.847 -2.692 410 HG2 MET 60 HG2 MET 60 -4.187 29.897 -2.907 411 HG3 MET 60 HG3 MET 60 -4.875 29.212 -1.437 412 HE1 MET 60 HE1 MET 60 -6.205 30.318 -5.174 413 HE2 MET 60 HE2 MET 60 -4.729 29.358 -5.065 414 HE3 MET 60 HE3 MET 60 -6.206 28.635 -5.701 415 H GLY 61 H GLY 61 -3.949 33.797 -0.172 416 HA2 GLY 61 HA2 GLY 61 -6.446 35.352 0.048 417 HA3 GLY 61 HA3 GLY 61 -5.179 35.522 1.254 418 HA PRO 62 HA PRO 62 -4.620 38.566 -2.307 419 HB2 PRO 62 HB2 PRO 62 -4.997 40.830 -0.857 420 HB3 PRO 62 HB3 PRO 62 -6.317 39.975 -1.664 421 HG2 PRO 62 HG2 PRO 62 -5.480 39.886 1.209 422 HG3 PRO 62 HG3 PRO 62 -7.112 39.977 0.521 423 HD2 PRO 62 HD2 PRO 62 -6.041 37.662 1.430 424 HD3 PRO 62 HD3 PRO 62 -7.186 37.717 0.074 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.751 -0.117 4.387 2 HA2 GLY 1 HA2 GLY 1 2.887 1.833 3.764 3 HA3 GLY 1 HA3 GLY 1 4.001 1.154 4.942 4 H ALA 2 H ALA 2 3.389 1.759 1.586 5 HA ALA 2 HA ALA 2 5.473 0.247 0.454 6 HB1 ALA 2 HB1 ALA 2 5.085 1.423 -1.527 7 HB2 ALA 2 HB2 ALA 2 3.521 1.425 -0.712 8 HB3 ALA 2 HB3 ALA 2 4.538 2.865 -0.672 9 H MET 3 H MET 3 7.180 1.691 -0.926 10 HA MET 3 HA MET 3 8.995 2.680 1.064 11 HB2 MET 3 HB2 MET 3 9.527 1.362 -1.108 12 HB3 MET 3 HB3 MET 3 9.430 2.930 -1.898 13 HG2 MET 3 HG2 MET 3 11.680 2.722 -1.461 14 HG3 MET 3 HG3 MET 3 11.113 3.686 -0.099 15 HE1 MET 3 HE1 MET 3 12.089 0.210 -1.404 16 HE2 MET 3 HE2 MET 3 12.208 -0.785 0.048 17 HE3 MET 3 HE3 MET 3 10.626 -0.289 -0.555 18 H GLY 4 H GLY 4 9.894 4.771 1.189 19 HA2 GLY 4 HA2 GLY 4 8.930 6.920 -0.445 20 HA3 GLY 4 HA3 GLY 4 8.176 6.906 1.142 21 H SER 5 H SER 5 11.487 5.935 0.442 22 HA SER 5 HA SER 5 12.586 7.432 2.537 23 HB2 SER 5 HB2 SER 5 13.988 6.434 0.045 24 HB3 SER 5 HB3 SER 5 14.763 6.889 1.562 25 HG SER 5 HG SER 5 13.489 5.188 2.545 26 H GLU 6 H GLU 6 12.281 8.147 -0.912 27 HA GLU 6 HA GLU 6 13.556 10.738 -0.568 28 HB2 GLU 6 HB2 GLU 6 14.154 9.654 -2.586 29 HB3 GLU 6 HB3 GLU 6 12.484 9.248 -2.955 30 HG2 GLU 6 HG2 GLU 6 13.274 11.026 -4.392 31 HG3 GLU 6 HG3 GLU 6 11.987 11.604 -3.335 32 H SER 7 H SER 7 10.366 9.383 -1.194 33 HA SER 7 HA SER 7 8.987 11.726 -1.807 34 HB2 SER 7 HB2 SER 7 7.646 9.632 -0.148 35 HB3 SER 7 HB3 SER 7 7.051 10.487 -1.571 36 HG SER 7 HG SER 7 7.849 8.973 -2.788 37 H GLU 8 H GLU 8 9.466 10.170 1.358 38 HA GLU 8 HA GLU 8 8.203 12.334 2.767 39 HB2 GLU 8 HB2 GLU 8 9.883 10.068 3.854 40 HB3 GLU 8 HB3 GLU 8 8.832 11.123 4.788 41 HG2 GLU 8 HG2 GLU 8 6.946 10.253 3.295 42 HG3 GLU 8 HG3 GLU 8 8.080 8.986 2.830 43 H GLN 9 H GLN 9 9.197 13.812 4.173 44 HA GLN 9 HA GLN 9 11.959 14.003 4.629 45 HB2 GLN 9 HB2 GLN 9 12.417 16.015 3.189 46 HB3 GLN 9 HB3 GLN 9 12.248 14.499 2.315 47 HG2 GLN 9 HG2 GLN 9 9.979 15.088 1.687 48 HG3 GLN 9 HG3 GLN 9 10.100 16.586 2.608 49 HE21 GLN 9 HE21 GLN 9 9.518 16.304 -0.180 50 HE22 GLN 9 HE22 GLN 9 10.769 17.123 -1.046 51 H ARG 10 H ARG 10 12.572 16.138 5.578 52 HA ARG 10 HA ARG 10 10.559 16.977 7.409 53 HB2 ARG 10 HB2 ARG 10 13.403 17.717 6.880 54 HB3 ARG 10 HB3 ARG 10 12.423 18.798 7.861 55 HG2 ARG 10 HG2 ARG 10 13.549 17.370 9.359 56 HG3 ARG 10 HG3 ARG 10 11.876 16.808 9.304 57 HD2 ARG 10 HD2 ARG 10 13.351 14.907 9.229 58 HD3 ARG 10 HD3 ARG 10 12.555 15.083 7.666 59 HE ARG 10 HE ARG 10 15.097 16.388 7.757 60 HH11 ARG 10 HH11 ARG 10 13.511 13.322 7.309 61 HH12 ARG 10 HH12 ARG 10 14.796 12.648 6.362 62 HH21 ARG 10 HH21 ARG 10 16.796 15.512 6.512 63 HH22 ARG 10 HH22 ARG 10 16.664 13.894 5.910 64 H HIS 11 H HIS 11 10.020 19.302 7.765 65 HA HIS 11 HA HIS 11 9.352 20.539 5.192 66 HB2 HIS 11 HB2 HIS 11 7.577 21.668 6.310 67 HB3 HIS 11 HB3 HIS 11 7.544 20.002 6.879 68 HD1 HIS 11 HD1 HIS 11 7.250 23.292 8.128 69 HD2 HIS 11 HD2 HIS 11 9.156 19.853 9.469 70 HE1 HIS 11 HE1 HIS 11 7.606 23.638 10.594 71 H ALA 12 H ALA 12 8.937 23.124 5.849 72 HA ALA 12 HA ALA 12 10.892 24.384 7.408 73 HB1 ALA 12 HB1 ALA 12 12.735 24.132 6.187 74 HB2 ALA 12 HB2 ALA 12 11.830 23.455 4.832 75 HB3 ALA 12 HB3 ALA 12 11.992 25.204 4.999 76 H HIS 13 H HIS 13 10.779 26.661 7.298 77 HA HIS 13 HA HIS 13 8.277 27.654 6.327 78 HB2 HIS 13 HB2 HIS 13 10.563 29.301 7.409 79 HB3 HIS 13 HB3 HIS 13 8.849 29.705 7.407 80 HD1 HIS 13 HD1 HIS 13 10.702 29.567 9.974 81 HD2 HIS 13 HD2 HIS 13 8.043 26.635 8.712 82 HE1 HIS 13 HE1 HIS 13 10.138 28.239 12.034 83 H GLN 14 H GLN 14 8.081 27.823 4.167 84 HA GLN 14 HA GLN 14 10.254 29.069 2.643 85 HB2 GLN 14 HB2 GLN 14 8.068 27.174 1.992 86 HB3 GLN 14 HB3 GLN 14 8.515 28.320 0.735 87 HG2 GLN 14 HG2 GLN 14 10.741 27.517 0.669 88 HG3 GLN 14 HG3 GLN 14 10.511 26.567 2.136 89 HE21 GLN 14 HE21 GLN 14 11.471 25.557 -0.311 90 HE22 GLN 14 HE22 GLN 14 10.329 24.402 -0.899 91 H CYS 15 H CYS 15 9.742 30.699 1.049 92 HA CYS 15 HA CYS 15 8.160 32.782 2.084 93 HB2 CYS 15 HB2 CYS 15 10.148 32.981 0.513 94 HB3 CYS 15 HB3 CYS 15 9.052 32.535 -0.789 95 HG CYS 15 HG CYS 15 9.019 35.143 -1.193 96 H VAL 16 H VAL 16 6.179 33.616 1.469 97 HA VAL 16 HA VAL 16 4.262 31.715 0.532 98 HB VAL 16 HB VAL 16 2.611 33.467 0.825 99 HG11 VAL 16 HG11 VAL 16 2.726 33.611 3.125 100 HG12 VAL 16 HG12 VAL 16 3.817 32.265 2.797 101 HG13 VAL 16 HG13 VAL 16 4.471 33.869 3.128 102 HG21 VAL 16 HG21 VAL 16 3.288 35.512 0.180 103 HG22 VAL 16 HG22 VAL 16 3.823 35.670 1.853 104 HG23 VAL 16 HG23 VAL 16 4.972 35.198 0.600 105 H SER 17 H SER 17 6.072 34.314 -0.907 106 HA SER 17 HA SER 17 4.423 34.522 -3.252 107 HB2 SER 17 HB2 SER 17 5.691 36.463 -2.524 108 HB3 SER 17 HB3 SER 17 7.204 35.566 -2.663 109 HG SER 17 HG SER 17 5.455 35.995 -4.849 110 H CYS 18 H CYS 18 7.802 33.465 -2.794 111 HA CYS 18 HA CYS 18 7.480 31.729 -5.148 112 HB2 CYS 18 HB2 CYS 18 9.230 33.393 -5.429 113 HB3 CYS 18 HB3 CYS 18 9.981 32.901 -3.915 114 HG CYS 18 HG CYS 18 11.437 32.033 -6.233 115 H GLY 19 H GLY 19 9.764 31.661 -2.422 116 HA2 GLY 19 HA2 GLY 19 8.917 29.708 -0.817 117 HA3 GLY 19 HA3 GLY 19 9.398 28.779 -2.229 118 H ILE 20 H ILE 20 10.958 31.684 -0.963 119 HA ILE 20 HA ILE 20 13.551 30.715 -1.195 120 HB ILE 20 HB ILE 20 12.530 32.807 0.729 121 HG12 ILE 20 HG12 ILE 20 13.869 34.072 -1.327 122 HG13 ILE 20 HG13 ILE 20 13.022 32.771 -2.157 123 HG21 ILE 20 HG21 ILE 20 15.289 31.970 -0.077 124 HG22 ILE 20 HG22 ILE 20 14.961 33.625 0.439 125 HG23 ILE 20 HG23 ILE 20 14.643 32.280 1.535 126 HD11 ILE 20 HD11 ILE 20 11.948 35.171 -1.683 127 HD12 ILE 20 HD12 ILE 20 10.999 33.690 -1.809 128 HD13 ILE 20 HD13 ILE 20 11.435 34.324 -0.223 129 H ASN 21 H ASN 21 15.003 29.767 0.202 130 HA ASN 21 HA ASN 21 13.881 28.076 2.227 131 HB2 ASN 21 HB2 ASN 21 15.743 27.350 0.758 132 HB3 ASN 21 HB3 ASN 21 16.786 28.547 1.519 133 HD21 ASN 21 HD21 ASN 21 18.124 27.654 2.895 134 HD22 ASN 21 HD22 ASN 21 17.776 26.334 3.954 135 H ILE 22 H ILE 22 13.069 30.075 3.411 136 HA ILE 22 HA ILE 22 15.138 31.213 5.158 137 HB ILE 22 HB ILE 22 13.338 32.824 5.839 138 HG12 ILE 22 HG12 ILE 22 11.872 31.640 3.472 139 HG13 ILE 22 HG13 ILE 22 11.427 31.388 5.156 140 HG21 ILE 22 HG21 ILE 22 14.246 34.185 4.337 141 HG22 ILE 22 HG22 ILE 22 14.955 32.770 3.559 142 HG23 ILE 22 HG23 ILE 22 13.391 33.382 3.019 143 HD11 ILE 22 HD11 ILE 22 10.346 33.322 5.252 144 HD12 ILE 22 HD12 ILE 22 11.675 34.197 4.491 145 HD13 ILE 22 HD13 ILE 22 10.483 33.363 3.494 146 H ALA 23 H ALA 23 14.261 28.522 5.539 147 HA ALA 23 HA ALA 23 12.326 28.385 7.628 148 HB1 ALA 23 HB1 ALA 23 12.677 26.110 7.625 149 HB2 ALA 23 HB2 ALA 23 13.175 26.539 5.989 150 HB3 ALA 23 HB3 ALA 23 14.391 26.266 7.237 151 H GLY 24 H GLY 24 12.621 29.155 9.612 152 HA2 GLY 24 HA2 GLY 24 13.580 29.542 11.665 153 HA3 GLY 24 HA3 GLY 24 14.797 28.346 11.243 154 H MET 25 H MET 25 14.431 30.946 9.044 155 HA MET 25 HA MET 25 16.890 32.169 10.109 156 HB2 MET 25 HB2 MET 25 15.897 32.093 7.254 157 HB3 MET 25 HB3 MET 25 17.376 32.872 7.800 158 HG2 MET 25 HG2 MET 25 18.131 30.617 8.616 159 HG3 MET 25 HG3 MET 25 16.743 29.937 7.771 160 HE1 MET 25 HE1 MET 25 20.432 30.859 7.490 161 HE2 MET 25 HE2 MET 25 19.833 29.203 7.400 162 HE3 MET 25 HE3 MET 25 20.632 29.929 6.006 163 H SER 26 H SER 26 17.042 34.509 8.892 164 HA SER 26 HA SER 26 15.140 36.108 10.239 165 HB2 SER 26 HB2 SER 26 17.548 36.710 9.557 166 HB3 SER 26 HB3 SER 26 16.870 37.090 7.974 167 HG SER 26 HG SER 26 17.033 38.794 9.760 168 H ALA 27 H ALA 27 13.126 36.543 9.669 169 HA ALA 27 HA ALA 27 12.348 37.464 7.136 170 HB1 ALA 27 HB1 ALA 27 12.543 35.344 6.198 171 HB2 ALA 27 HB2 ALA 27 11.924 34.541 7.641 172 HB3 ALA 27 HB3 ALA 27 10.829 35.453 6.602 173 H ALA 28 H ALA 28 10.177 38.132 7.075 174 HA ALA 28 HA ALA 28 9.042 38.887 9.505 175 HB1 ALA 28 HB1 ALA 28 8.202 38.928 6.679 176 HB2 ALA 28 HB2 ALA 28 6.908 39.023 7.873 177 HB3 ALA 28 HB3 ALA 28 8.207 40.216 7.884 178 H THR 29 H THR 29 8.154 37.656 11.016 179 HA THR 29 HA THR 29 6.699 35.230 10.190 180 HB THR 29 HB THR 29 7.435 35.394 13.021 181 HG1 THR 29 HG1 THR 29 9.446 35.948 12.687 182 HG21 THR 29 HG21 THR 29 8.222 33.088 12.548 183 HG22 THR 29 HG22 THR 29 6.555 33.364 12.044 184 HG23 THR 29 HG23 THR 29 7.847 33.342 10.844 185 H PHE 30 H PHE 30 4.570 35.408 10.339 186 HA PHE 30 HA PHE 30 3.421 36.819 12.639 187 HB2 PHE 30 HB2 PHE 30 1.639 37.714 11.057 188 HB3 PHE 30 HB3 PHE 30 3.228 38.463 10.940 189 HD1 PHE 30 HD1 PHE 30 4.729 37.867 9.053 190 HD2 PHE 30 HD2 PHE 30 0.680 36.568 9.231 191 HE1 PHE 30 HE1 PHE 30 4.786 37.371 6.643 192 HE2 PHE 30 HE2 PHE 30 0.730 36.069 6.822 193 HZ PHE 30 HZ PHE 30 2.785 36.469 5.525 194 H LYS 31 H LYS 31 1.014 36.354 12.810 195 HA LYS 31 HA LYS 31 0.566 33.515 12.171 196 HB2 LYS 31 HB2 LYS 31 0.642 33.913 14.553 197 HB3 LYS 31 HB3 LYS 31 -0.520 35.225 14.413 198 HG2 LYS 31 HG2 LYS 31 -2.201 33.571 13.625 199 HG3 LYS 31 HG3 LYS 31 -1.030 32.294 13.962 200 HD2 LYS 31 HD2 LYS 31 -1.930 34.284 16.035 201 HD3 LYS 31 HD3 LYS 31 -2.740 32.738 15.772 202 HE2 LYS 31 HE2 LYS 31 -1.277 32.161 17.437 203 HE3 LYS 31 HE3 LYS 31 -0.302 31.789 16.016 204 HZ1 LYS 31 HZ1 LYS 31 0.266 33.584 18.090 205 HZ2 LYS 31 HZ2 LYS 31 1.214 33.207 16.740 206 HZ3 LYS 31 HZ3 LYS 31 0.100 34.477 16.663 207 H CYS 32 H CYS 32 -0.952 33.050 10.730 208 HA CYS 32 HA CYS 32 -2.538 35.028 9.490 209 HB2 CYS 32 HB2 CYS 32 -1.767 32.822 8.493 210 HB3 CYS 32 HB3 CYS 32 -3.059 32.057 9.409 211 HG CYS 32 HG CYS 32 -4.732 34.271 8.010 212 HA PRO 33 HA PRO 33 -5.805 35.248 12.491 213 HB2 PRO 33 HB2 PRO 33 -7.421 36.888 11.052 214 HB3 PRO 33 HB3 PRO 33 -5.980 37.461 11.900 215 HG2 PRO 33 HG2 PRO 33 -6.335 36.796 9.003 216 HG3 PRO 33 HG3 PRO 33 -5.489 38.169 9.740 217 HD2 PRO 33 HD2 PRO 33 -4.186 35.990 8.799 218 HD3 PRO 33 HD3 PRO 33 -3.600 36.926 10.189 219 H ASP 34 H ASP 34 -5.866 33.750 9.477 220 HA ASP 34 HA ASP 34 -8.693 33.054 9.577 221 HB2 ASP 34 HB2 ASP 34 -7.265 33.565 7.443 222 HB3 ASP 34 HB3 ASP 34 -6.756 31.887 7.610 223 H CYS 35 H CYS 35 -5.563 31.353 9.559 224 HA CYS 35 HA CYS 35 -6.901 29.076 10.864 225 HB2 CYS 35 HB2 CYS 35 -4.902 27.757 9.984 226 HB3 CYS 35 HB3 CYS 35 -6.071 28.304 8.788 227 HG CYS 35 HG CYS 35 -4.463 30.551 8.060 228 H GLY 36 H GLY 36 -3.911 30.985 10.771 229 HA2 GLY 36 HA2 GLY 36 -2.908 31.773 12.808 230 HA3 GLY 36 HA3 GLY 36 -3.533 30.345 13.620 231 H GLN 37 H GLN 37 -2.094 29.963 10.505 232 HA GLN 37 HA GLN 37 -0.010 28.321 11.653 233 HB2 GLN 37 HB2 GLN 37 -0.646 28.982 8.772 234 HB3 GLN 37 HB3 GLN 37 0.547 27.803 9.299 235 HG2 GLN 37 HG2 GLN 37 -2.262 27.532 10.242 236 HG3 GLN 37 HG3 GLN 37 -1.859 27.066 8.590 237 HE21 GLN 37 HE21 GLN 37 0.504 25.898 8.733 238 HE22 GLN 37 HE22 GLN 37 0.477 24.521 9.776 239 H GLU 38 H GLU 38 2.195 28.664 11.508 240 HA GLU 38 HA GLU 38 3.058 31.361 11.608 241 HB2 GLU 38 HB2 GLU 38 4.082 29.332 12.783 242 HB3 GLU 38 HB3 GLU 38 4.865 28.978 11.249 243 HG2 GLU 38 HG2 GLU 38 5.933 31.197 11.314 244 HG3 GLU 38 HG3 GLU 38 5.201 31.476 12.893 245 H ILE 39 H ILE 39 3.248 32.648 9.904 246 HA ILE 39 HA ILE 39 4.032 31.488 7.320 247 HB ILE 39 HB ILE 39 2.899 34.245 7.767 248 HG12 ILE 39 HG12 ILE 39 1.414 31.700 7.074 249 HG13 ILE 39 HG13 ILE 39 1.308 32.563 8.605 250 HG21 ILE 39 HG21 ILE 39 2.510 34.279 5.441 251 HG22 ILE 39 HG22 ILE 39 4.148 33.660 5.643 252 HG23 ILE 39 HG23 ILE 39 2.824 32.551 5.285 253 HD11 ILE 39 HD11 ILE 39 -0.558 32.908 6.911 254 HD12 ILE 39 HD12 ILE 39 0.150 34.346 7.646 255 HD13 ILE 39 HD13 ILE 39 0.605 33.878 6.008 256 H SER 40 H SER 40 5.974 31.896 6.497 257 HA SER 40 HA SER 40 7.539 34.112 7.651 258 HB2 SER 40 HB2 SER 40 8.638 31.537 6.502 259 HB3 SER 40 HB3 SER 40 9.547 32.801 7.329 260 HG SER 40 HG SER 40 8.402 32.302 9.224 261 H ARG 41 H ARG 41 7.924 35.705 6.277 262 HA ARG 41 HA ARG 41 8.037 35.086 3.398 263 HB2 ARG 41 HB2 ARG 41 6.955 37.466 4.878 264 HB3 ARG 41 HB3 ARG 41 7.447 37.600 3.196 265 HG2 ARG 41 HG2 ARG 41 5.773 36.158 2.463 266 HG3 ARG 41 HG3 ARG 41 5.514 35.491 4.076 267 HD2 ARG 41 HD2 ARG 41 3.684 36.887 3.801 268 HD3 ARG 41 HD3 ARG 41 4.813 37.898 4.701 269 HE ARG 41 HE ARG 41 3.997 38.227 1.930 270 HH11 ARG 41 HH11 ARG 41 6.121 39.179 4.519 271 HH12 ARG 41 HH12 ARG 41 6.552 40.688 3.785 272 HH21 ARG 41 HH21 ARG 41 4.557 40.211 0.954 273 HH22 ARG 41 HH22 ARG 41 5.661 41.275 1.758 274 H CYS 42 H CYS 42 9.844 35.582 2.320 275 HA CYS 42 HA CYS 42 12.154 36.455 3.724 276 HB2 CYS 42 HB2 CYS 42 11.939 34.926 1.616 277 HB3 CYS 42 HB3 CYS 42 11.978 36.445 0.729 278 HG CYS 42 HG CYS 42 14.521 36.876 0.888 279 H SER 43 H SER 43 13.522 38.288 3.038 280 HA SER 43 HA SER 43 12.272 40.726 3.357 281 HB2 SER 43 HB2 SER 43 14.838 40.409 1.801 282 HB3 SER 43 HB3 SER 43 14.353 41.748 2.840 283 HG SER 43 HG SER 43 15.464 40.694 4.285 284 H LYS 44 H LYS 44 13.181 39.099 0.349 285 HA LYS 44 HA LYS 44 12.597 41.101 -1.472 286 HB2 LYS 44 HB2 LYS 44 12.126 38.131 -1.798 287 HB3 LYS 44 HB3 LYS 44 12.232 39.300 -3.108 288 HG2 LYS 44 HG2 LYS 44 14.455 38.687 -1.172 289 HG3 LYS 44 HG3 LYS 44 14.300 37.995 -2.789 290 HD2 LYS 44 HD2 LYS 44 14.303 40.345 -3.682 291 HD3 LYS 44 HD3 LYS 44 14.719 40.888 -2.055 292 HE2 LYS 44 HE2 LYS 44 16.635 39.130 -2.268 293 HE3 LYS 44 HE3 LYS 44 16.333 39.289 -3.997 294 HZ1 LYS 44 HZ1 LYS 44 16.455 41.853 -3.219 295 HZ2 LYS 44 HZ2 LYS 44 17.572 41.146 -2.163 296 HZ3 LYS 44 HZ3 LYS 44 17.768 40.982 -3.836 297 H CYS 45 H CYS 45 10.432 38.928 0.232 298 HA CYS 45 HA CYS 45 8.104 39.313 -1.251 299 HB2 CYS 45 HB2 CYS 45 8.764 37.915 1.014 300 HB3 CYS 45 HB3 CYS 45 7.695 39.156 1.654 301 HG CYS 45 HG CYS 45 6.828 37.103 -0.940 302 H ARG 46 H ARG 46 9.773 41.449 0.873 303 HA ARG 46 HA ARG 46 7.827 43.121 1.840 304 HB2 ARG 46 HB2 ARG 46 10.598 43.714 0.822 305 HB3 ARG 46 HB3 ARG 46 9.581 44.967 1.521 306 HG2 ARG 46 HG2 ARG 46 10.140 42.430 3.008 307 HG3 ARG 46 HG3 ARG 46 11.282 43.775 3.028 308 HD2 ARG 46 HD2 ARG 46 8.381 43.916 3.844 309 HD3 ARG 46 HD3 ARG 46 9.754 43.833 4.948 310 HE ARG 46 HE ARG 46 8.821 46.140 3.509 311 HH11 ARG 46 HH11 ARG 46 11.550 44.646 5.071 312 HH12 ARG 46 HH12 ARG 46 12.361 46.146 5.379 313 HH21 ARG 46 HH21 ARG 46 9.879 48.121 3.909 314 HH22 ARG 46 HH22 ARG 46 11.409 48.122 4.718 315 H LYS 47 H LYS 47 9.096 42.932 -1.428 316 HA LYS 47 HA LYS 47 7.734 45.289 -2.342 317 HB2 LYS 47 HB2 LYS 47 9.401 43.155 -3.581 318 HB3 LYS 47 HB3 LYS 47 8.328 44.067 -4.636 319 HG2 LYS 47 HG2 LYS 47 10.300 45.375 -2.784 320 HG3 LYS 47 HG3 LYS 47 10.684 44.924 -4.447 321 HD2 LYS 47 HD2 LYS 47 8.272 46.594 -3.853 322 HD3 LYS 47 HD3 LYS 47 9.871 47.337 -3.932 323 HE2 LYS 47 HE2 LYS 47 8.934 45.544 -6.135 324 HE3 LYS 47 HE3 LYS 47 8.389 47.219 -6.069 325 HZ1 LYS 47 HZ1 LYS 47 10.993 46.150 -6.736 326 HZ2 LYS 47 HZ2 LYS 47 10.258 47.595 -7.219 327 HZ3 LYS 47 HZ3 LYS 47 11.027 47.499 -5.715 328 H GLN 48 H GLN 48 7.125 41.826 -2.368 329 HA GLN 48 HA GLN 48 4.761 42.077 -4.003 330 HB2 GLN 48 HB2 GLN 48 6.135 39.812 -2.601 331 HB3 GLN 48 HB3 GLN 48 4.495 39.608 -3.203 332 HG2 GLN 48 HG2 GLN 48 5.956 38.780 -4.865 333 HG3 GLN 48 HG3 GLN 48 5.326 40.318 -5.451 334 HE21 GLN 48 HE21 GLN 48 8.103 38.767 -3.957 335 HE22 GLN 48 HE22 GLN 48 9.276 39.901 -4.525 336 H SER 49 H SER 49 5.379 42.919 -0.919 337 HA SER 49 HA SER 49 3.381 41.816 0.654 338 HB2 SER 49 HB2 SER 49 5.244 43.374 1.390 339 HB3 SER 49 HB3 SER 49 4.247 44.707 0.809 340 HG SER 49 HG SER 49 2.729 44.237 2.339 341 H ASN 50 H ASN 50 3.166 44.194 -1.868 342 HA ASN 50 HA ASN 50 0.798 45.484 -1.294 343 HB2 ASN 50 HB2 ASN 50 2.323 45.936 -3.244 344 HB3 ASN 50 HB3 ASN 50 1.609 44.543 -4.050 345 HD21 ASN 50 HD21 ASN 50 -0.313 44.747 -5.047 346 HD22 ASN 50 HD22 ASN 50 -1.229 46.211 -5.108 347 H LEU 51 H LEU 51 1.307 42.218 -2.404 348 HA LEU 51 HA LEU 51 -1.462 41.583 -1.848 349 HB2 LEU 51 HB2 LEU 51 -0.307 41.600 -4.587 350 HB3 LEU 51 HB3 LEU 51 -1.408 40.291 -4.160 351 HG LEU 51 HG LEU 51 -2.093 43.224 -3.981 352 HD11 LEU 51 HD11 LEU 51 -3.419 42.861 -5.992 353 HD12 LEU 51 HD12 LEU 51 -1.709 42.556 -6.298 354 HD13 LEU 51 HD13 LEU 51 -2.824 41.204 -6.097 355 HD21 LEU 51 HD21 LEU 51 -4.196 41.188 -4.168 356 HD22 LEU 51 HD22 LEU 51 -3.256 41.142 -2.677 357 HD23 LEU 51 HD23 LEU 51 -4.089 42.623 -3.149 358 H TYR 52 H TYR 52 -1.268 39.900 -0.536 359 HA TYR 52 HA TYR 52 0.632 37.769 -1.263 360 HB2 TYR 52 HB2 TYR 52 1.227 37.439 1.007 361 HB3 TYR 52 HB3 TYR 52 1.306 39.178 0.746 362 HD1 TYR 52 HD1 TYR 52 -0.949 40.463 1.308 363 HD2 TYR 52 HD2 TYR 52 0.144 36.669 2.895 364 HE1 TYR 52 HE1 TYR 52 -2.478 40.821 3.200 365 HE2 TYR 52 HE2 TYR 52 -1.383 37.016 4.791 366 HH TYR 52 HH TYR 52 -2.795 40.040 5.484 367 H GLU 53 H GLU 53 0.060 35.697 0.054 368 HA GLU 53 HA GLU 53 -2.743 35.317 0.597 369 HB2 GLU 53 HB2 GLU 53 -2.846 35.128 -1.798 370 HB3 GLU 53 HB3 GLU 53 -1.461 34.046 -1.823 371 HG2 GLU 53 HG2 GLU 53 -2.799 32.385 -0.564 372 HG3 GLU 53 HG3 GLU 53 -4.190 33.458 -0.703 373 H CYS 54 H CYS 54 -2.872 33.948 2.241 374 HA CYS 54 HA CYS 54 -0.655 32.594 3.298 375 HB2 CYS 54 HB2 CYS 54 -2.650 33.276 4.611 376 HB3 CYS 54 HB3 CYS 54 -3.582 32.020 3.805 377 HG CYS 54 HG CYS 54 -0.778 30.993 5.363 378 HA PRO 55 HA PRO 55 -0.697 29.173 0.403 379 HB2 PRO 55 HB2 PRO 55 1.596 28.051 1.328 380 HB3 PRO 55 HB3 PRO 55 1.579 29.452 0.251 381 HG2 PRO 55 HG2 PRO 55 1.922 29.351 3.223 382 HG3 PRO 55 HG3 PRO 55 2.802 30.321 2.027 383 HD2 PRO 55 HD2 PRO 55 0.803 31.340 3.542 384 HD3 PRO 55 HD3 PRO 55 1.128 31.899 1.889 385 H ASP 56 H ASP 56 -0.995 29.200 3.793 386 HA ASP 56 HA ASP 56 -1.088 26.337 4.143 387 HB2 ASP 56 HB2 ASP 56 -0.907 28.617 5.842 388 HB3 ASP 56 HB3 ASP 56 -2.331 27.697 6.321 389 H CYS 57 H CYS 57 -3.493 28.954 4.475 390 HA CYS 57 HA CYS 57 -5.597 26.962 3.961 391 HB2 CYS 57 HB2 CYS 57 -7.137 28.572 5.038 392 HB3 CYS 57 HB3 CYS 57 -5.838 28.068 6.112 393 HG CYS 57 HG CYS 57 -6.790 31.040 5.623 394 H GLY 58 H GLY 58 -3.887 28.514 2.012 395 HA2 GLY 58 HA2 GLY 58 -4.132 29.760 0.084 396 HA3 GLY 58 HA3 GLY 58 -5.609 28.820 -0.074 397 H PHE 59 H PHE 59 -4.813 31.299 2.328 398 HA PHE 59 HA PHE 59 -7.286 32.681 1.658 399 HB2 PHE 59 HB2 PHE 59 -6.923 32.336 4.003 400 HB3 PHE 59 HB3 PHE 59 -5.302 33.015 3.910 401 HD1 PHE 59 HD1 PHE 59 -8.506 34.292 2.520 402 HD2 PHE 59 HD2 PHE 59 -5.326 34.871 5.290 403 HE1 PHE 59 HE1 PHE 59 -9.408 36.510 3.087 404 HE2 PHE 59 HE2 PHE 59 -6.223 37.090 5.861 405 HZ PHE 59 HZ PHE 59 -8.266 37.912 4.759 406 H MET 60 H MET 60 -7.107 33.984 -0.063 407 HA MET 60 HA MET 60 -4.690 35.402 -0.682 408 HB2 MET 60 HB2 MET 60 -7.452 35.699 -1.875 409 HB3 MET 60 HB3 MET 60 -5.958 36.332 -2.554 410 HG2 MET 60 HG2 MET 60 -5.254 34.291 -3.281 411 HG3 MET 60 HG3 MET 60 -6.130 33.418 -2.026 412 HE1 MET 60 HE1 MET 60 -8.158 32.481 -2.097 413 HE2 MET 60 HE2 MET 60 -9.320 33.782 -2.356 414 HE3 MET 60 HE3 MET 60 -9.302 32.388 -3.436 415 H GLY 61 H GLY 61 -4.166 37.480 -0.264 416 HA2 GLY 61 HA2 GLY 61 -6.212 39.311 0.737 417 HA3 GLY 61 HA3 GLY 61 -4.883 38.932 1.822 418 HA PRO 62 HA PRO 62 -3.841 42.568 -0.993 419 HB2 PRO 62 HB2 PRO 62 -3.617 44.432 0.968 420 HB3 PRO 62 HB3 PRO 62 -5.138 44.093 0.134 421 HG2 PRO 62 HG2 PRO 62 -4.184 43.128 2.803 422 HG3 PRO 62 HG3 PRO 62 -5.790 43.719 2.335 423 HD2 PRO 62 HD2 PRO 62 -5.219 41.082 2.570 424 HD3 PRO 62 HD3 PRO 62 -6.395 41.704 1.394 Start of MODEL 15 1 H1 GLY 1 H GLY 1 6.612 3.607 -9.891 2 HA2 GLY 1 HA2 GLY 1 8.285 2.471 -8.124 3 HA3 GLY 1 HA3 GLY 1 9.407 3.041 -9.351 4 H ALA 2 H ALA 2 6.730 4.167 -7.299 5 HA ALA 2 HA ALA 2 8.057 6.796 -7.176 6 HB1 ALA 2 HB1 ALA 2 5.836 7.714 -6.598 7 HB2 ALA 2 HB2 ALA 2 5.877 6.963 -8.193 8 HB3 ALA 2 HB3 ALA 2 5.140 6.111 -6.837 9 H MET 3 H MET 3 8.770 7.504 -5.263 10 HA MET 3 HA MET 3 8.434 5.799 -2.940 11 HB2 MET 3 HB2 MET 3 10.168 8.175 -3.563 12 HB3 MET 3 HB3 MET 3 10.020 7.563 -1.921 13 HG2 MET 3 HG2 MET 3 10.895 5.426 -2.583 14 HG3 MET 3 HG3 MET 3 10.910 5.917 -4.275 15 HE1 MET 3 HE1 MET 3 13.050 4.643 -3.710 16 HE2 MET 3 HE2 MET 3 14.049 5.757 -4.643 17 HE3 MET 3 HE3 MET 3 14.498 5.346 -2.988 18 H GLY 4 H GLY 4 7.440 6.363 -1.032 19 HA2 GLY 4 HA2 GLY 4 5.200 8.007 -1.115 20 HA3 GLY 4 HA3 GLY 4 5.973 7.448 0.360 21 H SER 5 H SER 5 5.395 10.106 -1.703 22 HA SER 5 HA SER 5 7.341 11.773 -0.274 23 HB2 SER 5 HB2 SER 5 7.646 12.239 -2.520 24 HB3 SER 5 HB3 SER 5 5.941 12.004 -2.908 25 HG SER 5 HG SER 5 5.627 14.050 -2.585 26 H GLU 6 H GLU 6 3.905 11.473 -1.003 27 HA GLU 6 HA GLU 6 3.074 13.864 0.250 28 HB2 GLU 6 HB2 GLU 6 1.569 11.292 -0.258 29 HB3 GLU 6 HB3 GLU 6 0.825 12.789 0.284 30 HG2 GLU 6 HG2 GLU 6 2.106 12.190 -2.356 31 HG3 GLU 6 HG3 GLU 6 0.456 12.713 -2.023 32 H SER 7 H SER 7 3.607 10.598 1.436 33 HA SER 7 HA SER 7 2.361 10.731 3.904 34 HB2 SER 7 HB2 SER 7 4.195 9.099 4.633 35 HB3 SER 7 HB3 SER 7 3.228 8.631 3.235 36 HG SER 7 HG SER 7 5.581 8.403 3.033 37 H GLU 8 H GLU 8 5.762 11.516 3.168 38 HA GLU 8 HA GLU 8 6.255 12.572 5.777 39 HB2 GLU 8 HB2 GLU 8 8.433 13.113 4.982 40 HB3 GLU 8 HB3 GLU 8 7.995 11.573 4.255 41 HG2 GLU 8 HG2 GLU 8 7.380 12.752 2.186 42 HG3 GLU 8 HG3 GLU 8 7.899 14.268 2.919 43 H GLN 9 H GLN 9 6.579 14.729 6.384 44 HA GLN 9 HA GLN 9 5.678 16.784 4.497 45 HB2 GLN 9 HB2 GLN 9 4.695 16.636 7.348 46 HB3 GLN 9 HB3 GLN 9 4.195 17.779 6.109 47 HG2 GLN 9 HG2 GLN 9 2.501 16.422 5.682 48 HG3 GLN 9 HG3 GLN 9 3.673 15.299 4.994 49 HE21 GLN 9 HE21 GLN 9 1.222 14.582 6.207 50 HE22 GLN 9 HE22 GLN 9 1.582 13.637 7.608 51 H ARG 10 H ARG 10 7.349 18.119 4.317 52 HA ARG 10 HA ARG 10 8.787 18.892 6.771 53 HB2 ARG 10 HB2 ARG 10 9.802 18.254 4.026 54 HB3 ARG 10 HB3 ARG 10 10.683 19.396 5.031 55 HG2 ARG 10 HG2 ARG 10 11.725 17.368 5.453 56 HG3 ARG 10 HG3 ARG 10 10.627 17.560 6.820 57 HD2 ARG 10 HD2 ARG 10 9.106 15.992 5.957 58 HD3 ARG 10 HD3 ARG 10 9.834 16.046 4.352 59 HE ARG 10 HE ARG 10 10.703 14.473 6.605 60 HH11 ARG 10 HH11 ARG 10 11.613 15.899 3.562 61 HH12 ARG 10 HH12 ARG 10 12.915 14.791 3.284 62 HH21 ARG 10 HH21 ARG 10 12.415 13.009 6.250 63 HH22 ARG 10 HH22 ARG 10 13.370 13.147 4.813 64 H HIS 11 H HIS 11 7.605 20.740 7.174 65 HA HIS 11 HA HIS 11 7.834 22.864 5.145 66 HB2 HIS 11 HB2 HIS 11 5.562 22.103 6.933 67 HB3 HIS 11 HB3 HIS 11 5.769 23.797 6.498 68 HD1 HIS 11 HD1 HIS 11 3.642 23.855 5.068 69 HD2 HIS 11 HD2 HIS 11 6.420 21.028 3.821 70 HE1 HIS 11 HE1 HIS 11 2.856 23.093 2.803 71 H ALA 12 H ALA 12 9.891 23.375 6.133 72 HA ALA 12 HA ALA 12 9.855 24.387 8.857 73 HB1 ALA 12 HB1 ALA 12 11.809 23.239 7.235 74 HB2 ALA 12 HB2 ALA 12 12.297 24.924 7.418 75 HB3 ALA 12 HB3 ALA 12 12.029 23.924 8.846 76 H HIS 13 H HIS 13 11.572 26.489 8.795 77 HA HIS 13 HA HIS 13 9.882 28.624 7.979 78 HB2 HIS 13 HB2 HIS 13 12.749 28.653 8.945 79 HB3 HIS 13 HB3 HIS 13 11.736 30.081 8.755 80 HD1 HIS 13 HD1 HIS 13 12.961 29.203 11.490 81 HD2 HIS 13 HD2 HIS 13 9.102 28.346 10.211 82 HE1 HIS 13 HE1 HIS 13 11.632 28.798 13.586 83 H GLN 14 H GLN 14 9.590 29.007 5.869 84 HA GLN 14 HA GLN 14 11.912 29.723 4.272 85 HB2 GLN 14 HB2 GLN 14 10.248 27.329 3.805 86 HB3 GLN 14 HB3 GLN 14 10.561 28.319 2.386 87 HG2 GLN 14 HG2 GLN 14 12.818 27.909 2.424 88 HG3 GLN 14 HG3 GLN 14 12.833 27.553 4.151 89 HE21 GLN 14 HE21 GLN 14 14.190 25.847 2.736 90 HE22 GLN 14 HE22 GLN 14 13.347 24.360 2.493 91 H CYS 15 H CYS 15 11.200 30.648 2.114 92 HA CYS 15 HA CYS 15 9.270 32.673 2.591 93 HB2 CYS 15 HB2 CYS 15 11.322 32.828 1.093 94 HB3 CYS 15 HB3 CYS 15 10.406 31.915 -0.100 95 HG CYS 15 HG CYS 15 10.057 34.349 -1.099 96 H VAL 16 H VAL 16 7.194 32.894 1.906 97 HA VAL 16 HA VAL 16 5.752 30.517 1.246 98 HB VAL 16 HB VAL 16 3.766 31.874 1.292 99 HG11 VAL 16 HG11 VAL 16 4.571 31.331 3.459 100 HG12 VAL 16 HG12 VAL 16 5.778 32.615 3.405 101 HG13 VAL 16 HG13 VAL 16 4.065 33.020 3.512 102 HG21 VAL 16 HG21 VAL 16 4.089 34.395 1.714 103 HG22 VAL 16 HG22 VAL 16 5.695 34.154 1.026 104 HG23 VAL 16 HG23 VAL 16 4.261 33.793 0.065 105 H SER 17 H SER 17 7.134 33.125 -0.560 106 HA SER 17 HA SER 17 5.550 32.723 -2.923 107 HB2 SER 17 HB2 SER 17 6.870 34.415 -3.919 108 HB3 SER 17 HB3 SER 17 6.736 34.885 -2.225 109 HG SER 17 HG SER 17 8.910 34.916 -3.271 110 H CYS 18 H CYS 18 8.858 31.903 -1.928 111 HA CYS 18 HA CYS 18 8.885 29.848 -4.034 112 HB2 CYS 18 HB2 CYS 18 10.949 31.917 -3.392 113 HB3 CYS 18 HB3 CYS 18 11.471 30.347 -3.988 114 HG CYS 18 HG CYS 18 10.627 32.889 -5.733 115 H GLY 19 H GLY 19 11.204 30.780 -1.504 116 HA2 GLY 19 HA2 GLY 19 10.736 29.110 0.530 117 HA3 GLY 19 HA3 GLY 19 11.378 27.999 -0.672 118 H ILE 20 H ILE 20 12.367 31.347 -0.133 119 HA ILE 20 HA ILE 20 15.101 30.809 -0.247 120 HB ILE 20 HB ILE 20 13.711 33.116 1.120 121 HG12 ILE 20 HG12 ILE 20 14.847 34.010 -1.240 122 HG13 ILE 20 HG13 ILE 20 14.220 32.423 -1.674 123 HG21 ILE 20 HG21 ILE 20 16.092 34.098 0.321 124 HG22 ILE 20 HG22 ILE 20 15.781 33.466 1.938 125 HG23 ILE 20 HG23 ILE 20 16.549 32.443 0.724 126 HD11 ILE 20 HD11 ILE 20 12.073 33.074 -1.482 127 HD12 ILE 20 HD12 ILE 20 12.407 34.173 -0.144 128 HD13 ILE 20 HD13 ILE 20 12.774 34.661 -1.799 129 H ASN 21 H ASN 21 16.690 30.519 1.289 130 HA ASN 21 HA ASN 21 15.894 29.200 3.695 131 HB2 ASN 21 HB2 ASN 21 18.698 30.114 3.086 132 HB3 ASN 21 HB3 ASN 21 18.179 28.708 4.011 133 HD21 ASN 21 HD21 ASN 21 19.791 29.324 1.427 134 HD22 ASN 21 HD22 ASN 21 19.220 28.116 0.331 135 H ILE 22 H ILE 22 14.656 31.046 4.565 136 HA ILE 22 HA ILE 22 16.395 33.007 5.912 137 HB ILE 22 HB ILE 22 14.270 34.345 6.198 138 HG12 ILE 22 HG12 ILE 22 13.194 32.650 3.954 139 HG13 ILE 22 HG13 ILE 22 12.839 32.273 5.637 140 HG21 ILE 22 HG21 ILE 22 14.447 34.336 3.332 141 HG22 ILE 22 HG22 ILE 22 15.048 35.526 4.486 142 HG23 ILE 22 HG23 ILE 22 16.049 34.143 4.044 143 HD11 ILE 22 HD11 ILE 22 11.426 34.014 5.866 144 HD12 ILE 22 HD12 ILE 22 12.349 35.052 4.779 145 HD13 ILE 22 HD13 ILE 22 11.281 33.813 4.120 146 H ALA 23 H ALA 23 15.974 30.350 6.894 147 HA ALA 23 HA ALA 23 13.991 30.300 8.924 148 HB1 ALA 23 HB1 ALA 23 16.526 28.675 8.841 149 HB2 ALA 23 HB2 ALA 23 15.021 28.282 9.671 150 HB3 ALA 23 HB3 ALA 23 15.079 28.291 7.909 151 H GLY 24 H GLY 24 13.959 31.460 10.729 152 HA2 GLY 24 HA2 GLY 24 14.663 32.473 12.671 153 HA3 GLY 24 HA3 GLY 24 16.193 31.628 12.483 154 H MET 25 H MET 25 15.197 33.536 9.818 155 HA MET 25 HA MET 25 17.366 35.406 10.358 156 HB2 MET 25 HB2 MET 25 15.697 34.847 7.909 157 HB3 MET 25 HB3 MET 25 16.848 36.173 7.992 158 HG2 MET 25 HG2 MET 25 17.551 33.277 8.401 159 HG3 MET 25 HG3 MET 25 17.727 34.150 6.880 160 HE1 MET 25 HE1 MET 25 19.635 34.134 10.740 161 HE2 MET 25 HE2 MET 25 19.046 32.819 9.723 162 HE3 MET 25 HE3 MET 25 20.744 33.291 9.658 163 H SER 26 H SER 26 16.754 37.701 9.256 164 HA SER 26 HA SER 26 14.615 38.722 10.951 165 HB2 SER 26 HB2 SER 26 16.974 39.750 10.761 166 HB3 SER 26 HB3 SER 26 16.421 40.397 9.216 167 HG SER 26 HG SER 26 15.710 41.104 11.798 168 H ALA 27 H ALA 27 13.529 37.243 8.976 169 HA ALA 27 HA ALA 27 12.728 39.055 6.827 170 HB1 ALA 27 HB1 ALA 27 13.035 37.093 5.758 171 HB2 ALA 27 HB2 ALA 27 12.744 36.134 7.209 172 HB3 ALA 27 HB3 ALA 27 11.383 36.781 6.293 173 H ALA 28 H ALA 28 10.339 38.910 6.202 174 HA ALA 28 HA ALA 28 8.778 40.044 8.207 175 HB1 ALA 28 HB1 ALA 28 8.258 40.406 5.889 176 HB2 ALA 28 HB2 ALA 28 7.927 38.691 5.650 177 HB3 ALA 28 HB3 ALA 28 6.865 39.660 6.671 178 H THR 29 H THR 29 8.491 38.947 10.077 179 HA THR 29 HA THR 29 7.411 36.214 9.927 180 HB THR 29 HB THR 29 8.051 36.946 12.614 181 HG1 THR 29 HG1 THR 29 10.123 37.620 12.442 182 HG21 THR 29 HG21 THR 29 9.930 35.134 11.924 183 HG22 THR 29 HG22 THR 29 8.261 34.713 12.307 184 HG23 THR 29 HG23 THR 29 8.763 34.885 10.625 185 H PHE 30 H PHE 30 5.268 36.148 10.052 186 HA PHE 30 HA PHE 30 3.936 37.775 12.100 187 HB2 PHE 30 HB2 PHE 30 2.011 38.034 10.447 188 HB3 PHE 30 HB3 PHE 30 3.449 39.001 10.135 189 HD1 PHE 30 HD1 PHE 30 5.020 38.323 8.338 190 HD2 PHE 30 HD2 PHE 30 1.264 36.404 8.909 191 HE1 PHE 30 HE1 PHE 30 5.155 37.391 6.065 192 HE2 PHE 30 HE2 PHE 30 1.393 35.468 6.638 193 HZ PHE 30 HZ PHE 30 3.340 35.961 5.212 194 H LYS 31 H LYS 31 1.582 36.989 12.362 195 HA LYS 31 HA LYS 31 1.614 34.044 12.353 196 HB2 LYS 31 HB2 LYS 31 1.607 34.830 14.604 197 HB3 LYS 31 HB3 LYS 31 0.352 36.013 14.258 198 HG2 LYS 31 HG2 LYS 31 -1.250 34.197 13.890 199 HG3 LYS 31 HG3 LYS 31 0.011 33.020 14.264 200 HD2 LYS 31 HD2 LYS 31 -1.384 33.384 16.212 201 HD3 LYS 31 HD3 LYS 31 0.237 34.015 16.509 202 HE2 LYS 31 HE2 LYS 31 -0.496 36.259 16.150 203 HE3 LYS 31 HE3 LYS 31 -2.070 35.712 15.574 204 HZ1 LYS 31 HZ1 LYS 31 -1.278 34.896 18.261 205 HZ2 LYS 31 HZ2 LYS 31 -1.678 36.526 18.043 206 HZ3 LYS 31 HZ3 LYS 31 -2.803 35.320 17.664 207 H CYS 32 H CYS 32 0.201 33.070 11.071 208 HA CYS 32 HA CYS 32 -1.689 34.485 9.522 209 HB2 CYS 32 HB2 CYS 32 -0.564 32.295 8.923 210 HB3 CYS 32 HB3 CYS 32 -1.686 31.508 10.027 211 HG CYS 32 HG CYS 32 -2.542 33.229 7.195 212 HA PRO 33 HA PRO 33 -4.972 34.739 12.494 213 HB2 PRO 33 HB2 PRO 33 -6.853 35.711 10.794 214 HB3 PRO 33 HB3 PRO 33 -5.546 36.704 11.450 215 HG2 PRO 33 HG2 PRO 33 -5.756 35.374 8.776 216 HG3 PRO 33 HG3 PRO 33 -5.180 37.004 9.173 217 HD2 PRO 33 HD2 PRO 33 -3.494 34.944 8.677 218 HD3 PRO 33 HD3 PRO 33 -3.098 36.248 9.814 219 H ASP 34 H ASP 34 -4.757 32.656 9.849 220 HA ASP 34 HA ASP 34 -7.402 31.493 10.210 221 HB2 ASP 34 HB2 ASP 34 -5.493 31.581 8.087 222 HB3 ASP 34 HB3 ASP 34 -5.788 29.894 8.497 223 H CYS 35 H CYS 35 -4.015 30.394 10.381 224 HA CYS 35 HA CYS 35 -4.903 28.240 12.182 225 HB2 CYS 35 HB2 CYS 35 -2.687 27.164 11.522 226 HB3 CYS 35 HB3 CYS 35 -3.929 27.231 10.277 227 HG CYS 35 HG CYS 35 -1.761 27.786 8.816 228 H GLY 36 H GLY 36 -2.320 30.605 11.606 229 HA2 GLY 36 HA2 GLY 36 -1.473 31.965 13.388 230 HA3 GLY 36 HA3 GLY 36 -1.866 30.673 14.512 231 H GLN 37 H GLN 37 -0.334 29.860 11.522 232 HA GLN 37 HA GLN 37 1.968 28.863 12.956 233 HB2 GLN 37 HB2 GLN 37 1.297 28.789 10.009 234 HB3 GLN 37 HB3 GLN 37 2.643 27.947 10.765 235 HG2 GLN 37 HG2 GLN 37 -0.228 27.480 11.519 236 HG3 GLN 37 HG3 GLN 37 0.619 26.552 10.282 237 HE21 GLN 37 HE21 GLN 37 1.691 24.809 10.902 238 HE22 GLN 37 HE22 GLN 37 2.111 24.409 12.529 239 H GLU 38 H GLU 38 4.104 29.496 12.659 240 HA GLU 38 HA GLU 38 4.523 32.262 12.210 241 HB2 GLU 38 HB2 GLU 38 5.876 30.414 13.592 242 HB3 GLU 38 HB3 GLU 38 6.833 30.394 12.118 243 HG2 GLU 38 HG2 GLU 38 7.956 32.111 12.945 244 HG3 GLU 38 HG3 GLU 38 6.513 33.086 12.675 245 H ILE 39 H ILE 39 4.495 33.205 10.286 246 HA ILE 39 HA ILE 39 5.453 31.704 7.947 247 HB ILE 39 HB ILE 39 3.867 34.268 7.911 248 HG12 ILE 39 HG12 ILE 39 2.858 31.421 7.719 249 HG13 ILE 39 HG13 ILE 39 2.583 32.518 9.067 250 HG21 ILE 39 HG21 ILE 39 5.206 33.569 5.893 251 HG22 ILE 39 HG22 ILE 39 4.141 32.169 5.774 252 HG23 ILE 39 HG23 ILE 39 3.478 33.796 5.622 253 HD11 ILE 39 HD11 ILE 39 0.702 32.219 7.389 254 HD12 ILE 39 HD12 ILE 39 1.149 33.871 7.814 255 HD13 ILE 39 HD13 ILE 39 1.689 33.178 6.285 256 H SER 40 H SER 40 7.465 32.123 7.345 257 HA SER 40 HA SER 40 8.530 34.837 7.772 258 HB2 SER 40 HB2 SER 40 10.048 32.223 7.580 259 HB3 SER 40 HB3 SER 40 10.766 33.814 7.836 260 HG SER 40 HG SER 40 10.036 32.216 9.693 261 H ARG 41 H ARG 41 8.496 35.959 5.942 262 HA ARG 41 HA ARG 41 9.193 34.573 3.436 263 HB2 ARG 41 HB2 ARG 41 7.520 37.072 3.733 264 HB3 ARG 41 HB3 ARG 41 7.828 36.184 2.248 265 HG2 ARG 41 HG2 ARG 41 6.439 34.426 2.861 266 HG3 ARG 41 HG3 ARG 41 6.485 34.862 4.571 267 HD2 ARG 41 HD2 ARG 41 4.328 35.418 3.561 268 HD3 ARG 41 HD3 ARG 41 5.177 36.863 4.109 269 HE ARG 41 HE ARG 41 5.758 36.378 1.391 270 HH11 ARG 41 HH11 ARG 41 3.185 37.463 3.470 271 HH12 ARG 41 HH12 ARG 41 2.440 38.446 2.254 272 HH21 ARG 41 HH21 ARG 41 4.787 37.669 -0.219 273 HH22 ARG 41 HH22 ARG 41 3.351 38.562 0.155 274 H CYS 42 H CYS 42 10.856 35.328 2.254 275 HA CYS 42 HA CYS 42 12.770 37.020 3.363 276 HB2 CYS 42 HB2 CYS 42 12.948 35.306 1.412 277 HB3 CYS 42 HB3 CYS 42 12.517 36.673 0.391 278 HG CYS 42 HG CYS 42 15.076 36.988 0.032 279 H SER 43 H SER 43 13.568 39.086 2.482 280 HA SER 43 HA SER 43 11.735 41.123 2.674 281 HB2 SER 43 HB2 SER 43 13.976 41.718 0.854 282 HB3 SER 43 HB3 SER 43 13.509 42.501 2.364 283 HG SER 43 HG SER 43 15.512 41.406 2.545 284 H LYS 44 H LYS 44 12.671 39.293 -0.159 285 HA LYS 44 HA LYS 44 11.709 40.881 -2.202 286 HB2 LYS 44 HB2 LYS 44 11.538 37.870 -1.987 287 HB3 LYS 44 HB3 LYS 44 11.384 38.795 -3.474 288 HG2 LYS 44 HG2 LYS 44 13.842 39.081 -1.809 289 HG3 LYS 44 HG3 LYS 44 13.646 37.674 -2.856 290 HD2 LYS 44 HD2 LYS 44 13.747 38.922 -4.780 291 HD3 LYS 44 HD3 LYS 44 13.137 40.380 -3.994 292 HE2 LYS 44 HE2 LYS 44 15.306 40.537 -2.770 293 HE3 LYS 44 HE3 LYS 44 15.895 39.187 -3.740 294 HZ1 LYS 44 HZ1 LYS 44 15.353 41.953 -4.538 295 HZ2 LYS 44 HZ2 LYS 44 16.637 40.938 -4.968 296 HZ3 LYS 44 HZ3 LYS 44 15.119 40.733 -5.688 297 H CYS 45 H CYS 45 9.944 38.931 0.100 298 HA CYS 45 HA CYS 45 7.474 38.738 -1.150 299 HB2 CYS 45 HB2 CYS 45 6.581 38.205 0.947 300 HB3 CYS 45 HB3 CYS 45 8.273 37.748 1.097 301 HG CYS 45 HG CYS 45 6.526 39.837 2.924 302 H ARG 46 H ARG 46 9.042 41.487 0.237 303 HA ARG 46 HA ARG 46 6.981 43.165 0.915 304 HB2 ARG 46 HB2 ARG 46 9.642 43.699 -0.374 305 HB3 ARG 46 HB3 ARG 46 8.530 45.015 -0.021 306 HG2 ARG 46 HG2 ARG 46 8.504 44.144 2.367 307 HG3 ARG 46 HG3 ARG 46 9.894 43.161 1.902 308 HD2 ARG 46 HD2 ARG 46 10.074 45.991 1.142 309 HD3 ARG 46 HD3 ARG 46 10.038 45.695 2.880 310 HE ARG 46 HE ARG 46 12.108 44.678 2.733 311 HH11 ARG 46 HH11 ARG 46 10.857 45.347 -0.446 312 HH12 ARG 46 HH12 ARG 46 12.359 45.024 -1.247 313 HH21 ARG 46 HH21 ARG 46 14.091 44.250 1.690 314 HH22 ARG 46 HH22 ARG 46 14.197 44.399 -0.031 315 H LYS 47 H LYS 47 8.097 42.283 -2.293 316 HA LYS 47 HA LYS 47 6.381 44.193 -3.616 317 HB2 LYS 47 HB2 LYS 47 8.376 42.155 -4.458 318 HB3 LYS 47 HB3 LYS 47 7.133 42.591 -5.623 319 HG2 LYS 47 HG2 LYS 47 7.783 44.939 -5.441 320 HG3 LYS 47 HG3 LYS 47 9.033 44.500 -4.274 321 HD2 LYS 47 HD2 LYS 47 10.149 43.140 -5.955 322 HD3 LYS 47 HD3 LYS 47 8.875 43.505 -7.120 323 HE2 LYS 47 HE2 LYS 47 10.761 44.916 -7.579 324 HE3 LYS 47 HE3 LYS 47 9.463 45.911 -6.922 325 HZ1 LYS 47 HZ1 LYS 47 12.074 45.337 -5.833 326 HZ2 LYS 47 HZ2 LYS 47 11.056 46.661 -5.564 327 HZ3 LYS 47 HZ3 LYS 47 10.816 45.222 -4.707 328 H GLN 48 H GLN 48 6.335 40.780 -2.808 329 HA GLN 48 HA GLN 48 3.967 40.249 -4.369 330 HB2 GLN 48 HB2 GLN 48 5.807 38.569 -3.866 331 HB3 GLN 48 HB3 GLN 48 5.162 38.489 -2.232 332 HG2 GLN 48 HG2 GLN 48 3.311 37.340 -2.864 333 HG3 GLN 48 HG3 GLN 48 3.263 38.079 -4.464 334 HE21 GLN 48 HE21 GLN 48 3.368 35.230 -3.230 335 HE22 GLN 48 HE22 GLN 48 4.503 34.418 -4.248 336 H SER 49 H SER 49 4.425 41.927 -1.621 337 HA SER 49 HA SER 49 2.630 40.962 0.255 338 HB2 SER 49 HB2 SER 49 3.046 43.889 -0.382 339 HB3 SER 49 HB3 SER 49 2.561 43.190 1.162 340 HG SER 49 HG SER 49 4.580 42.438 1.474 341 H ASN 50 H ASN 50 2.035 42.696 -2.724 342 HA ASN 50 HA ASN 50 -0.555 43.579 -2.360 343 HB2 ASN 50 HB2 ASN 50 0.463 42.342 -4.922 344 HB3 ASN 50 HB3 ASN 50 -0.775 43.583 -4.748 345 HD21 ASN 50 HD21 ASN 50 0.205 45.453 -3.228 346 HD22 ASN 50 HD22 ASN 50 1.684 46.101 -3.843 347 H LEU 51 H LEU 51 0.610 40.336 -2.993 348 HA LEU 51 HA LEU 51 -1.951 39.246 -2.213 349 HB2 LEU 51 HB2 LEU 51 -1.858 39.697 -4.784 350 HB3 LEU 51 HB3 LEU 51 -0.852 38.250 -4.805 351 HG LEU 51 HG LEU 51 -3.184 37.756 -5.358 352 HD11 LEU 51 HD11 LEU 51 -3.436 35.864 -3.955 353 HD12 LEU 51 HD12 LEU 51 -1.702 36.134 -4.133 354 HD13 LEU 51 HD13 LEU 51 -2.523 36.623 -2.650 355 HD21 LEU 51 HD21 LEU 51 -3.694 39.499 -3.151 356 HD22 LEU 51 HD22 LEU 51 -4.831 38.806 -4.308 357 HD23 LEU 51 HD23 LEU 51 -4.427 37.926 -2.834 358 H TYR 52 H TYR 52 -1.490 37.688 -0.822 359 HA TYR 52 HA TYR 52 0.816 35.943 -1.359 360 HB2 TYR 52 HB2 TYR 52 1.560 36.036 0.881 361 HB3 TYR 52 HB3 TYR 52 1.247 37.709 0.436 362 HD1 TYR 52 HD1 TYR 52 -1.264 38.487 0.969 363 HD2 TYR 52 HD2 TYR 52 0.800 35.330 2.938 364 HE1 TYR 52 HE1 TYR 52 -2.758 38.728 2.908 365 HE2 TYR 52 HE2 TYR 52 -0.689 35.561 4.882 366 HH TYR 52 HH TYR 52 -3.026 36.435 5.316 367 H GLU 53 H GLU 53 0.704 34.002 0.276 368 HA GLU 53 HA GLU 53 -1.961 33.162 0.977 369 HB2 GLU 53 HB2 GLU 53 -2.009 32.627 -1.384 370 HB3 GLU 53 HB3 GLU 53 -0.468 31.790 -1.262 371 HG2 GLU 53 HG2 GLU 53 -1.577 30.191 0.323 372 HG3 GLU 53 HG3 GLU 53 -3.109 30.954 -0.100 373 H CYS 54 H CYS 54 -1.818 32.006 2.779 374 HA CYS 54 HA CYS 54 0.659 31.277 3.914 375 HB2 CYS 54 HB2 CYS 54 -1.369 31.807 5.236 376 HB3 CYS 54 HB3 CYS 54 -2.107 30.313 4.672 377 HG CYS 54 HG CYS 54 -0.552 30.671 7.383 378 HA PRO 55 HA PRO 55 1.138 27.483 1.580 379 HB2 PRO 55 HB2 PRO 55 3.613 26.919 2.544 380 HB3 PRO 55 HB3 PRO 55 3.326 28.112 1.271 381 HG2 PRO 55 HG2 PRO 55 3.756 28.536 4.203 382 HG3 PRO 55 HG3 PRO 55 4.425 29.440 2.832 383 HD2 PRO 55 HD2 PRO 55 2.317 30.335 4.277 384 HD3 PRO 55 HD3 PRO 55 2.499 30.675 2.545 385 H ASP 56 H ASP 56 0.952 27.990 4.946 386 HA ASP 56 HA ASP 56 1.359 25.245 5.725 387 HB2 ASP 56 HB2 ASP 56 0.025 27.359 7.405 388 HB3 ASP 56 HB3 ASP 56 0.953 25.959 7.938 389 H CYS 57 H CYS 57 -1.462 27.431 5.780 390 HA CYS 57 HA CYS 57 -3.195 25.055 5.699 391 HB2 CYS 57 HB2 CYS 57 -4.969 26.530 6.570 392 HB3 CYS 57 HB3 CYS 57 -3.572 26.486 7.638 393 HG CYS 57 HG CYS 57 -4.092 29.065 7.856 394 H GLY 58 H GLY 58 -1.814 26.531 3.439 395 HA2 GLY 58 HA2 GLY 58 -2.312 27.373 1.347 396 HA3 GLY 58 HA3 GLY 58 -3.573 26.149 1.403 397 H PHE 59 H PHE 59 -3.270 29.109 3.327 398 HA PHE 59 HA PHE 59 -5.970 29.851 2.521 399 HB2 PHE 59 HB2 PHE 59 -5.568 29.958 4.881 400 HB3 PHE 59 HB3 PHE 59 -4.107 30.911 4.648 401 HD1 PHE 59 HD1 PHE 59 -7.561 31.253 3.288 402 HD2 PHE 59 HD2 PHE 59 -4.422 32.987 5.580 403 HE1 PHE 59 HE1 PHE 59 -8.877 33.318 3.521 404 HE2 PHE 59 HE2 PHE 59 -5.733 35.055 5.817 405 HZ PHE 59 HZ PHE 59 -7.965 35.222 4.788 406 H MET 60 H MET 60 -6.194 31.047 0.754 407 HA MET 60 HA MET 60 -4.046 32.716 -0.215 408 HB2 MET 60 HB2 MET 60 -6.838 32.233 -1.267 409 HB3 MET 60 HB3 MET 60 -5.618 33.199 -2.086 410 HG2 MET 60 HG2 MET 60 -4.579 30.603 -1.407 411 HG3 MET 60 HG3 MET 60 -6.068 30.465 -2.340 412 HE1 MET 60 HE1 MET 60 -5.247 31.363 -5.797 413 HE2 MET 60 HE2 MET 60 -6.358 30.723 -4.585 414 HE3 MET 60 HE3 MET 60 -6.153 32.466 -4.761 415 H GLY 61 H GLY 61 -3.772 34.792 0.264 416 HA2 GLY 61 HA2 GLY 61 -6.131 36.375 1.054 417 HA3 GLY 61 HA3 GLY 61 -4.669 36.411 2.029 418 HA PRO 62 HA PRO 62 -4.626 39.722 -1.342 419 HB2 PRO 62 HB2 PRO 62 -4.741 41.876 0.307 420 HB3 PRO 62 HB3 PRO 62 -6.182 41.092 -0.350 421 HG2 PRO 62 HG2 PRO 62 -4.923 40.787 2.349 422 HG3 PRO 62 HG3 PRO 62 -6.638 40.938 1.925 423 HD2 PRO 62 HD2 PRO 62 -5.483 38.556 2.493 424 HD3 PRO 62 HD3 PRO 62 -6.818 38.718 1.334 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.093 20.532 -11.918 2 HA2 GLY 1 HA2 GLY 1 2.134 22.026 -10.984 3 HA3 GLY 1 HA3 GLY 1 0.634 22.788 -10.474 4 H ALA 2 H ALA 2 2.955 20.518 -9.690 5 HA ALA 2 HA ALA 2 1.140 19.126 -7.835 6 HB1 ALA 2 HB1 ALA 2 3.477 18.252 -9.394 7 HB2 ALA 2 HB2 ALA 2 3.402 17.650 -7.738 8 HB3 ALA 2 HB3 ALA 2 2.067 17.343 -8.849 9 H MET 3 H MET 3 1.236 19.764 -5.792 10 HA MET 3 HA MET 3 3.393 21.420 -4.846 11 HB2 MET 3 HB2 MET 3 2.103 21.570 -2.781 12 HB3 MET 3 HB3 MET 3 1.071 21.860 -4.174 13 HG2 MET 3 HG2 MET 3 0.285 19.524 -4.030 14 HG3 MET 3 HG3 MET 3 1.251 19.322 -2.570 15 HE1 MET 3 HE1 MET 3 -2.586 21.699 -3.147 16 HE2 MET 3 HE2 MET 3 -1.129 22.649 -3.439 17 HE3 MET 3 HE3 MET 3 -1.431 21.186 -4.376 18 H GLY 4 H GLY 4 5.123 20.814 -3.698 19 HA2 GLY 4 HA2 GLY 4 5.322 17.979 -2.943 20 HA3 GLY 4 HA3 GLY 4 6.679 19.060 -3.218 21 H SER 5 H SER 5 3.791 19.552 -1.221 22 HA SER 5 HA SER 5 5.561 20.093 1.053 23 HB2 SER 5 HB2 SER 5 3.407 21.070 2.046 24 HB3 SER 5 HB3 SER 5 4.121 21.933 0.684 25 HG SER 5 HG SER 5 1.721 20.608 0.869 26 H GLU 6 H GLU 6 2.531 18.392 0.285 27 HA GLU 6 HA GLU 6 2.281 17.101 2.779 28 HB2 GLU 6 HB2 GLU 6 0.599 17.390 0.761 29 HB3 GLU 6 HB3 GLU 6 1.241 15.823 0.288 30 HG2 GLU 6 HG2 GLU 6 0.681 15.075 2.663 31 HG3 GLU 6 HG3 GLU 6 -0.279 16.549 2.764 32 H SER 7 H SER 7 3.567 15.947 -0.332 33 HA SER 7 HA SER 7 4.232 13.365 0.399 34 HB2 SER 7 HB2 SER 7 4.379 14.147 -1.909 35 HB3 SER 7 HB3 SER 7 5.720 15.211 -1.484 36 HG SER 7 HG SER 7 7.032 13.574 -1.594 37 H GLU 8 H GLU 8 6.352 16.231 0.507 38 HA GLU 8 HA GLU 8 7.714 15.097 2.822 39 HB2 GLU 8 HB2 GLU 8 9.035 15.707 0.191 40 HB3 GLU 8 HB3 GLU 8 9.940 15.769 1.697 41 HG2 GLU 8 HG2 GLU 8 8.459 13.369 0.647 42 HG3 GLU 8 HG3 GLU 8 10.199 13.629 0.546 43 H GLN 9 H GLN 9 8.878 16.637 4.059 44 HA GLN 9 HA GLN 9 8.992 19.389 3.289 45 HB2 GLN 9 HB2 GLN 9 7.524 20.148 5.220 46 HB3 GLN 9 HB3 GLN 9 6.692 19.485 3.819 47 HG2 GLN 9 HG2 GLN 9 6.335 17.399 4.944 48 HG3 GLN 9 HG3 GLN 9 7.323 17.919 6.308 49 HE21 GLN 9 HE21 GLN 9 5.421 17.369 7.562 50 HE22 GLN 9 HE22 GLN 9 4.152 18.530 7.724 51 H ARG 10 H ARG 10 10.131 20.694 4.801 52 HA ARG 10 HA ARG 10 11.643 19.109 6.767 53 HB2 ARG 10 HB2 ARG 10 13.322 21.023 6.550 54 HB3 ARG 10 HB3 ARG 10 13.168 19.935 5.177 55 HG2 ARG 10 HG2 ARG 10 11.497 22.386 5.195 56 HG3 ARG 10 HG3 ARG 10 13.226 22.559 4.891 57 HD2 ARG 10 HD2 ARG 10 11.745 20.453 3.407 58 HD3 ARG 10 HD3 ARG 10 11.494 22.132 2.933 59 HE ARG 10 HE ARG 10 14.233 21.745 3.104 60 HH11 ARG 10 HH11 ARG 10 11.562 20.521 1.236 61 HH12 ARG 10 HH12 ARG 10 12.523 20.197 -0.168 62 HH21 ARG 10 HH21 ARG 10 15.509 21.323 1.260 63 HH22 ARG 10 HH22 ARG 10 14.768 20.653 -0.153 64 H HIS 11 H HIS 11 12.120 20.019 8.807 65 HA HIS 11 HA HIS 11 10.074 21.884 9.731 66 HB2 HIS 11 HB2 HIS 11 12.059 20.228 11.303 67 HB3 HIS 11 HB3 HIS 11 10.755 21.192 11.990 68 HD1 HIS 11 HD1 HIS 11 11.372 17.884 11.738 69 HD2 HIS 11 HD2 HIS 11 8.251 20.172 10.226 70 HE1 HIS 11 HE1 HIS 11 9.477 16.273 11.364 71 H ALA 12 H ALA 12 11.088 23.724 8.680 72 HA ALA 12 HA ALA 12 12.823 25.128 10.486 73 HB1 ALA 12 HB1 ALA 12 14.756 24.539 9.544 74 HB2 ALA 12 HB2 ALA 12 13.949 23.799 8.162 75 HB3 ALA 12 HB3 ALA 12 14.270 25.533 8.171 76 H HIS 13 H HIS 13 13.004 27.375 9.992 77 HA HIS 13 HA HIS 13 10.680 28.444 8.749 78 HB2 HIS 13 HB2 HIS 13 13.067 29.544 10.139 79 HB3 HIS 13 HB3 HIS 13 12.186 30.636 9.075 80 HD1 HIS 13 HD1 HIS 13 11.847 31.781 11.577 81 HD2 HIS 13 HD2 HIS 13 9.671 28.355 10.691 82 HE1 HIS 13 HE1 HIS 13 9.947 31.747 13.224 83 H GLN 14 H GLN 14 10.468 28.268 6.599 84 HA GLN 14 HA GLN 14 12.635 29.354 4.933 85 HB2 GLN 14 HB2 GLN 14 11.257 26.738 4.740 86 HB3 GLN 14 HB3 GLN 14 11.531 27.589 3.226 87 HG2 GLN 14 HG2 GLN 14 13.752 27.252 3.281 88 HG3 GLN 14 HG3 GLN 14 13.846 27.443 5.031 89 HE21 GLN 14 HE21 GLN 14 14.378 25.327 2.658 90 HE22 GLN 14 HE22 GLN 14 14.093 23.838 3.487 91 H CYS 15 H CYS 15 11.890 30.089 2.786 92 HA CYS 15 HA CYS 15 9.710 31.844 3.010 93 HB2 CYS 15 HB2 CYS 15 11.720 32.029 1.453 94 HB3 CYS 15 HB3 CYS 15 10.887 30.891 0.402 95 HG CYS 15 HG CYS 15 8.841 33.343 1.182 96 H VAL 16 H VAL 16 7.627 31.778 2.265 97 HA VAL 16 HA VAL 16 6.433 29.194 1.996 98 HB VAL 16 HB VAL 16 4.320 30.353 1.815 99 HG11 VAL 16 HG11 VAL 16 6.210 31.537 3.836 100 HG12 VAL 16 HG12 VAL 16 4.467 31.801 3.869 101 HG13 VAL 16 HG13 VAL 16 5.115 30.170 4.045 102 HG21 VAL 16 HG21 VAL 16 4.622 32.140 0.375 103 HG22 VAL 16 HG22 VAL 16 4.459 32.946 1.935 104 HG23 VAL 16 HG23 VAL 16 6.056 32.715 1.224 105 H SER 17 H SER 17 7.505 31.661 -0.201 106 HA SER 17 HA SER 17 6.019 30.690 -2.460 107 HB2 SER 17 HB2 SER 17 7.163 33.067 -1.945 108 HB3 SER 17 HB3 SER 17 8.461 32.330 -2.886 109 HG SER 17 HG SER 17 5.939 33.153 -3.673 110 H CYS 18 H CYS 18 9.524 30.812 -1.789 111 HA CYS 18 HA CYS 18 9.843 28.448 -3.511 112 HB2 CYS 18 HB2 CYS 18 11.581 30.803 -2.920 113 HB3 CYS 18 HB3 CYS 18 12.355 29.270 -3.308 114 HG CYS 18 HG CYS 18 9.930 30.214 -5.434 115 H GLY 19 H GLY 19 11.861 29.805 -0.915 116 HA2 GLY 19 HA2 GLY 19 11.472 28.254 1.210 117 HA3 GLY 19 HA3 GLY 19 12.259 27.113 0.129 118 H ILE 20 H ILE 20 12.935 30.566 0.436 119 HA ILE 20 HA ILE 20 15.697 30.303 0.435 120 HB ILE 20 HB ILE 20 14.052 32.503 1.690 121 HG12 ILE 20 HG12 ILE 20 15.202 33.382 -0.698 122 HG13 ILE 20 HG13 ILE 20 14.633 31.755 -1.056 123 HG21 ILE 20 HG21 ILE 20 16.961 32.442 0.901 124 HG22 ILE 20 HG22 ILE 20 16.075 33.884 1.399 125 HG23 ILE 20 HG23 ILE 20 16.314 32.559 2.538 126 HD11 ILE 20 HD11 ILE 20 13.124 33.993 -1.220 127 HD12 ILE 20 HD12 ILE 20 12.485 32.365 -0.993 128 HD13 ILE 20 HD13 ILE 20 12.718 33.423 0.399 129 H ASN 21 H ASN 21 17.269 30.213 2.009 130 HA ASN 21 HA ASN 21 16.513 28.951 4.472 131 HB2 ASN 21 HB2 ASN 21 19.018 29.051 4.910 132 HB3 ASN 21 HB3 ASN 21 18.516 28.151 3.482 133 HD21 ASN 21 HD21 ASN 21 19.180 28.798 1.509 134 HD22 ASN 21 HD22 ASN 21 20.217 30.152 1.230 135 H ILE 22 H ILE 22 15.198 31.113 4.822 136 HA ILE 22 HA ILE 22 16.851 33.102 6.197 137 HB ILE 22 HB ILE 22 14.774 34.453 6.301 138 HG12 ILE 22 HG12 ILE 22 13.598 32.275 4.562 139 HG13 ILE 22 HG13 ILE 22 13.205 32.511 6.261 140 HG21 ILE 22 HG21 ILE 22 14.768 33.964 3.462 141 HG22 ILE 22 HG22 ILE 22 15.396 35.343 4.363 142 HG23 ILE 22 HG23 ILE 22 16.409 33.923 4.106 143 HD11 ILE 22 HD11 ILE 22 11.711 34.064 5.764 144 HD12 ILE 22 HD12 ILE 22 12.870 34.954 4.778 145 HD13 ILE 22 HD13 ILE 22 11.934 33.639 4.067 146 H ALA 23 H ALA 23 16.383 30.456 7.327 147 HA ALA 23 HA ALA 23 14.476 30.790 9.466 148 HB1 ALA 23 HB1 ALA 23 15.911 28.612 10.188 149 HB2 ALA 23 HB2 ALA 23 14.538 28.575 9.082 150 HB3 ALA 23 HB3 ALA 23 16.182 28.626 8.446 151 H GLY 24 H GLY 24 14.897 32.027 11.171 152 HA2 GLY 24 HA2 GLY 24 16.141 32.260 13.233 153 HA3 GLY 24 HA3 GLY 24 17.608 31.920 12.327 154 H MET 25 H MET 25 16.602 33.728 10.128 155 HA MET 25 HA MET 25 17.803 36.133 11.159 156 HB2 MET 25 HB2 MET 25 17.688 36.956 8.901 157 HB3 MET 25 HB3 MET 25 18.227 35.282 8.856 158 HG2 MET 25 HG2 MET 25 16.519 34.682 7.582 159 HG3 MET 25 HG3 MET 25 15.358 35.450 8.662 160 HE1 MET 25 HE1 MET 25 17.587 37.611 5.263 161 HE2 MET 25 HE2 MET 25 18.327 36.607 6.509 162 HE3 MET 25 HE3 MET 25 17.367 35.862 5.231 163 H SER 26 H SER 26 16.598 38.232 10.122 164 HA SER 26 HA SER 26 13.995 38.264 11.474 165 HB2 SER 26 HB2 SER 26 15.750 39.895 12.193 166 HB3 SER 26 HB3 SER 26 15.682 40.616 10.585 167 HG SER 26 HG SER 26 14.201 41.255 12.607 168 H ALA 27 H ALA 27 13.276 37.076 9.437 169 HA ALA 27 HA ALA 27 12.822 38.860 7.167 170 HB1 ALA 27 HB1 ALA 27 11.656 36.242 6.869 171 HB2 ALA 27 HB2 ALA 27 12.915 37.027 5.916 172 HB3 ALA 27 HB3 ALA 27 13.343 36.128 7.371 173 H ALA 28 H ALA 28 10.586 38.609 6.117 174 HA ALA 28 HA ALA 28 8.653 39.719 7.774 175 HB1 ALA 28 HB1 ALA 28 8.011 38.156 5.286 176 HB2 ALA 28 HB2 ALA 28 7.150 39.538 5.962 177 HB3 ALA 28 HB3 ALA 28 8.746 39.759 5.246 178 H THR 29 H THR 29 8.085 38.666 9.606 179 HA THR 29 HA THR 29 7.070 35.912 9.338 180 HB THR 29 HB THR 29 7.646 37.010 12.037 181 HG1 THR 29 HG1 THR 29 9.681 36.232 10.196 182 HG21 THR 29 HG21 THR 29 8.431 34.353 10.869 183 HG22 THR 29 HG22 THR 29 8.150 34.775 12.559 184 HG23 THR 29 HG23 THR 29 6.792 34.669 11.439 185 H PHE 30 H PHE 30 5.036 35.422 10.003 186 HA PHE 30 HA PHE 30 3.481 37.280 11.575 187 HB2 PHE 30 HB2 PHE 30 1.821 37.797 9.977 188 HB3 PHE 30 HB3 PHE 30 3.349 38.057 9.142 189 HD1 PHE 30 HD1 PHE 30 4.251 35.902 7.874 190 HD2 PHE 30 HD2 PHE 30 0.180 36.645 8.870 191 HE1 PHE 30 HE1 PHE 30 3.538 34.368 6.088 192 HE2 PHE 30 HE2 PHE 30 -0.540 35.111 7.086 193 HZ PHE 30 HZ PHE 30 1.140 33.970 5.693 194 H LYS 31 H LYS 31 1.315 36.417 12.079 195 HA LYS 31 HA LYS 31 1.432 33.500 12.283 196 HB2 LYS 31 HB2 LYS 31 1.131 34.578 14.393 197 HB3 LYS 31 HB3 LYS 31 -0.162 35.591 13.763 198 HG2 LYS 31 HG2 LYS 31 -1.566 33.594 13.484 199 HG3 LYS 31 HG3 LYS 31 -0.275 32.610 14.177 200 HD2 LYS 31 HD2 LYS 31 -1.389 34.966 15.660 201 HD3 LYS 31 HD3 LYS 31 -2.191 33.395 15.716 202 HE2 LYS 31 HE2 LYS 31 0.738 33.619 16.286 203 HE3 LYS 31 HE3 LYS 31 -0.441 34.014 17.536 204 HZ1 LYS 31 HZ1 LYS 31 -1.258 31.845 17.550 205 HZ2 LYS 31 HZ2 LYS 31 -0.543 31.450 16.068 206 HZ3 LYS 31 HZ3 LYS 31 0.419 31.642 17.447 207 H CYS 32 H CYS 32 0.181 32.237 11.079 208 HA CYS 32 HA CYS 32 -1.573 33.280 9.125 209 HB2 CYS 32 HB2 CYS 32 -0.310 31.090 9.011 210 HB3 CYS 32 HB3 CYS 32 -1.507 30.428 10.117 211 HG CYS 32 HG CYS 32 -1.822 31.216 6.845 212 HA PRO 33 HA PRO 33 -5.163 33.831 11.679 213 HB2 PRO 33 HB2 PRO 33 -6.870 34.467 9.666 214 HB3 PRO 33 HB3 PRO 33 -5.671 35.599 10.303 215 HG2 PRO 33 HG2 PRO 33 -5.548 33.893 7.846 216 HG3 PRO 33 HG3 PRO 33 -5.064 35.586 8.058 217 HD2 PRO 33 HD2 PRO 33 -3.278 33.550 8.051 218 HD3 PRO 33 HD3 PRO 33 -3.046 35.020 9.019 219 H ASP 34 H ASP 34 -4.606 31.406 9.397 220 HA ASP 34 HA ASP 34 -7.240 30.195 9.629 221 HB2 ASP 34 HB2 ASP 34 -5.718 30.204 7.522 222 HB3 ASP 34 HB3 ASP 34 -4.869 28.888 8.328 223 H CYS 35 H CYS 35 -3.878 29.261 10.362 224 HA CYS 35 HA CYS 35 -4.939 27.391 12.376 225 HB2 CYS 35 HB2 CYS 35 -2.653 26.283 12.135 226 HB3 CYS 35 HB3 CYS 35 -3.758 26.113 10.776 227 HG CYS 35 HG CYS 35 -2.497 28.236 9.331 228 H GLY 36 H GLY 36 -2.330 29.702 11.701 229 HA2 GLY 36 HA2 GLY 36 -1.721 31.354 13.338 230 HA3 GLY 36 HA3 GLY 36 -2.172 30.214 14.597 231 H GLN 37 H GLN 37 -0.366 28.998 11.931 232 HA GLN 37 HA GLN 37 1.847 28.384 13.686 233 HB2 GLN 37 HB2 GLN 37 1.492 27.765 10.749 234 HB3 GLN 37 HB3 GLN 37 2.706 27.072 11.817 235 HG2 GLN 37 HG2 GLN 37 -0.219 26.764 12.378 236 HG3 GLN 37 HG3 GLN 37 0.628 25.684 11.271 237 HE21 GLN 37 HE21 GLN 37 -0.311 24.265 13.094 238 HE22 GLN 37 HE22 GLN 37 0.781 23.901 14.382 239 H GLU 38 H GLU 38 3.638 29.548 13.887 240 HA GLU 38 HA GLU 38 4.058 32.019 12.735 241 HB2 GLU 38 HB2 GLU 38 5.243 30.886 14.735 242 HB3 GLU 38 HB3 GLU 38 6.360 30.258 13.531 243 HG2 GLU 38 HG2 GLU 38 6.677 32.672 12.799 244 HG3 GLU 38 HG3 GLU 38 5.852 33.113 14.293 245 H ILE 39 H ILE 39 4.279 32.508 10.660 246 HA ILE 39 HA ILE 39 5.667 30.627 8.885 247 HB ILE 39 HB ILE 39 4.170 33.028 7.903 248 HG12 ILE 39 HG12 ILE 39 2.960 30.375 8.709 249 HG13 ILE 39 HG13 ILE 39 2.621 31.942 9.435 250 HG21 ILE 39 HG21 ILE 39 5.607 31.554 6.434 251 HG22 ILE 39 HG22 ILE 39 4.412 30.284 6.699 252 HG23 ILE 39 HG23 ILE 39 3.940 31.787 5.907 253 HD11 ILE 39 HD11 ILE 39 1.344 30.685 7.243 254 HD12 ILE 39 HD12 ILE 39 0.976 32.237 7.996 255 HD13 ILE 39 HD13 ILE 39 2.124 32.156 6.660 256 H SER 40 H SER 40 7.456 31.194 7.735 257 HA SER 40 HA SER 40 8.581 33.863 8.285 258 HB2 SER 40 HB2 SER 40 10.824 32.674 7.882 259 HB3 SER 40 HB3 SER 40 9.990 32.326 9.396 260 HG SER 40 HG SER 40 10.204 30.721 7.083 261 H ARG 41 H ARG 41 8.505 35.106 6.543 262 HA ARG 41 HA ARG 41 8.965 33.866 3.909 263 HB2 ARG 41 HB2 ARG 41 7.195 36.176 4.700 264 HB3 ARG 41 HB3 ARG 41 7.663 35.875 3.032 265 HG2 ARG 41 HG2 ARG 41 6.359 34.012 2.853 266 HG3 ARG 41 HG3 ARG 41 6.462 33.640 4.575 267 HD2 ARG 41 HD2 ARG 41 4.211 34.391 3.874 268 HD3 ARG 41 HD3 ARG 41 4.938 35.428 5.102 269 HE ARG 41 HE ARG 41 5.616 36.667 2.810 270 HH11 ARG 41 HH11 ARG 41 2.586 35.473 4.040 271 HH12 ARG 41 HH12 ARG 41 1.634 36.666 3.221 272 HH21 ARG 41 HH21 ARG 41 4.373 38.244 1.727 273 HH22 ARG 41 HH22 ARG 41 2.651 38.241 1.905 274 H CYS 42 H CYS 42 10.346 34.876 2.476 275 HA CYS 42 HA CYS 42 12.320 36.606 3.671 276 HB2 CYS 42 HB2 CYS 42 12.680 34.660 1.971 277 HB3 CYS 42 HB3 CYS 42 12.272 35.870 0.761 278 HG CYS 42 HG CYS 42 14.547 37.053 2.841 279 H SER 43 H SER 43 13.093 38.565 2.531 280 HA SER 43 HA SER 43 11.168 40.523 2.361 281 HB2 SER 43 HB2 SER 43 13.932 40.356 1.170 282 HB3 SER 43 HB3 SER 43 12.934 41.799 0.996 283 HG SER 43 HG SER 43 14.357 41.835 2.836 284 H LYS 44 H LYS 44 12.605 38.661 -0.294 285 HA LYS 44 HA LYS 44 11.413 39.913 -2.450 286 HB2 LYS 44 HB2 LYS 44 11.906 36.944 -2.149 287 HB3 LYS 44 HB3 LYS 44 11.712 37.815 -3.665 288 HG2 LYS 44 HG2 LYS 44 13.870 38.645 -1.788 289 HG3 LYS 44 HG3 LYS 44 14.087 37.194 -2.769 290 HD2 LYS 44 HD2 LYS 44 13.889 38.412 -4.786 291 HD3 LYS 44 HD3 LYS 44 13.268 39.838 -3.950 292 HE2 LYS 44 HE2 LYS 44 15.441 40.118 -2.843 293 HE3 LYS 44 HE3 LYS 44 16.055 38.705 -3.702 294 HZ1 LYS 44 HZ1 LYS 44 16.744 40.246 -5.161 295 HZ2 LYS 44 HZ2 LYS 44 15.151 40.184 -5.728 296 HZ3 LYS 44 HZ3 LYS 44 15.621 41.407 -4.657 297 H CYS 45 H CYS 45 10.040 37.657 -0.158 298 HA CYS 45 HA CYS 45 7.739 36.908 -1.561 299 HB2 CYS 45 HB2 CYS 45 8.728 36.118 0.752 300 HB3 CYS 45 HB3 CYS 45 7.630 37.331 1.398 301 HG CYS 45 HG CYS 45 5.324 36.165 0.446 302 H ARG 46 H ARG 46 8.551 39.844 0.109 303 HA ARG 46 HA ARG 46 6.102 40.945 0.689 304 HB2 ARG 46 HB2 ARG 46 7.149 43.042 0.708 305 HB3 ARG 46 HB3 ARG 46 8.454 41.913 1.046 306 HG2 ARG 46 HG2 ARG 46 9.107 42.012 -1.334 307 HG3 ARG 46 HG3 ARG 46 7.854 43.227 -1.595 308 HD2 ARG 46 HD2 ARG 46 9.367 44.766 -1.054 309 HD3 ARG 46 HD3 ARG 46 9.285 44.156 0.598 310 HE ARG 46 HE ARG 46 11.071 42.508 -0.618 311 HH11 ARG 46 HH11 ARG 46 10.797 45.960 -0.265 312 HH12 ARG 46 HH12 ARG 46 12.508 46.231 -0.296 313 HH21 ARG 46 HH21 ARG 46 13.326 42.851 -0.660 314 HH22 ARG 46 HH22 ARG 46 13.946 44.461 -0.522 315 H LYS 47 H LYS 47 7.623 40.541 -2.433 316 HA LYS 47 HA LYS 47 5.711 42.191 -3.822 317 HB2 LYS 47 HB2 LYS 47 7.831 40.281 -4.817 318 HB3 LYS 47 HB3 LYS 47 6.825 41.269 -5.868 319 HG2 LYS 47 HG2 LYS 47 8.543 42.466 -3.720 320 HG3 LYS 47 HG3 LYS 47 9.152 42.131 -5.342 321 HD2 LYS 47 HD2 LYS 47 6.612 43.662 -5.058 322 HD3 LYS 47 HD3 LYS 47 8.137 44.484 -4.718 323 HE2 LYS 47 HE2 LYS 47 7.854 42.891 -7.226 324 HE3 LYS 47 HE3 LYS 47 7.123 44.492 -7.134 325 HZ1 LYS 47 HZ1 LYS 47 9.472 45.152 -6.278 326 HZ2 LYS 47 HZ2 LYS 47 9.962 43.741 -7.074 327 HZ3 LYS 47 HZ3 LYS 47 9.196 44.978 -7.938 328 H GLN 48 H GLN 48 6.196 38.767 -3.200 329 HA GLN 48 HA GLN 48 4.031 37.971 -4.940 330 HB2 GLN 48 HB2 GLN 48 5.949 36.549 -3.140 331 HB3 GLN 48 HB3 GLN 48 4.485 35.721 -3.652 332 HG2 GLN 48 HG2 GLN 48 6.392 36.987 -5.593 333 HG3 GLN 48 HG3 GLN 48 6.557 35.323 -5.035 334 HE21 GLN 48 HE21 GLN 48 5.793 33.925 -6.433 335 HE22 GLN 48 HE22 GLN 48 4.415 34.141 -7.452 336 H SER 49 H SER 49 4.088 39.455 -2.039 337 HA SER 49 HA SER 49 2.387 38.038 -0.366 338 HB2 SER 49 HB2 SER 49 2.296 41.040 -0.667 339 HB3 SER 49 HB3 SER 49 1.999 40.084 0.784 340 HG SER 49 HG SER 49 4.370 39.398 0.158 341 H ASN 50 H ASN 50 1.688 39.843 -3.255 342 HA ASN 50 HA ASN 50 -1.003 40.386 -2.992 343 HB2 ASN 50 HB2 ASN 50 0.121 41.202 -4.919 344 HB3 ASN 50 HB3 ASN 50 0.620 39.585 -5.405 345 HD21 ASN 50 HD21 ASN 50 -1.959 41.891 -5.334 346 HD22 ASN 50 HD22 ASN 50 -3.019 41.049 -6.408 347 H LEU 51 H LEU 51 0.579 37.328 -3.531 348 HA LEU 51 HA LEU 51 -1.906 35.936 -3.016 349 HB2 LEU 51 HB2 LEU 51 -1.525 36.384 -5.577 350 HB3 LEU 51 HB3 LEU 51 -0.408 35.029 -5.428 351 HG LEU 51 HG LEU 51 -2.287 33.641 -4.586 352 HD11 LEU 51 HD11 LEU 51 -3.994 34.838 -3.748 353 HD12 LEU 51 HD12 LEU 51 -3.670 36.226 -4.786 354 HD13 LEU 51 HD13 LEU 51 -4.561 34.841 -5.418 355 HD21 LEU 51 HD21 LEU 51 -3.040 33.097 -6.695 356 HD22 LEU 51 HD22 LEU 51 -3.120 34.780 -7.218 357 HD23 LEU 51 HD23 LEU 51 -1.557 33.976 -7.065 358 H TYR 52 H TYR 52 -1.046 35.020 -1.206 359 HA TYR 52 HA TYR 52 1.348 33.342 -1.568 360 HB2 TYR 52 HB2 TYR 52 1.898 33.668 0.706 361 HB3 TYR 52 HB3 TYR 52 1.419 35.258 0.121 362 HD1 TYR 52 HD1 TYR 52 -1.074 35.914 0.521 363 HD2 TYR 52 HD2 TYR 52 0.944 32.832 2.650 364 HE1 TYR 52 HE1 TYR 52 -2.732 36.085 2.329 365 HE2 TYR 52 HE2 TYR 52 -0.710 32.993 4.463 366 HH TYR 52 HH TYR 52 -2.939 33.764 4.858 367 H GLU 53 H GLU 53 1.300 31.578 0.340 368 HA GLU 53 HA GLU 53 -1.304 30.428 0.782 369 HB2 GLU 53 HB2 GLU 53 -0.986 29.615 -1.451 370 HB3 GLU 53 HB3 GLU 53 0.663 29.121 -1.096 371 HG2 GLU 53 HG2 GLU 53 -0.224 27.453 0.499 372 HG3 GLU 53 HG3 GLU 53 -1.856 27.902 0.006 373 H CYS 54 H CYS 54 -1.227 29.690 2.788 374 HA CYS 54 HA CYS 54 1.171 29.341 4.231 375 HB2 CYS 54 HB2 CYS 54 -1.014 29.929 5.260 376 HB3 CYS 54 HB3 CYS 54 -1.584 28.299 4.920 377 HG CYS 54 HG CYS 54 -1.037 28.345 7.611 378 HA PRO 55 HA PRO 55 2.090 25.262 2.626 379 HB2 PRO 55 HB2 PRO 55 4.488 25.043 3.880 380 HB3 PRO 55 HB3 PRO 55 4.258 25.989 2.404 381 HG2 PRO 55 HG2 PRO 55 4.377 26.916 5.248 382 HG3 PRO 55 HG3 PRO 55 5.122 27.630 3.806 383 HD2 PRO 55 HD2 PRO 55 2.837 28.593 4.894 384 HD3 PRO 55 HD3 PRO 55 3.166 28.658 3.150 385 H ASP 56 H ASP 56 1.564 26.297 5.834 386 HA ASP 56 HA ASP 56 2.034 23.741 7.084 387 HB2 ASP 56 HB2 ASP 56 0.508 26.067 8.254 388 HB3 ASP 56 HB3 ASP 56 1.343 24.777 9.115 389 H CYS 57 H CYS 57 -0.880 25.746 6.609 390 HA CYS 57 HA CYS 57 -2.496 23.299 6.794 391 HB2 CYS 57 HB2 CYS 57 -4.399 24.806 7.237 392 HB3 CYS 57 HB3 CYS 57 -3.101 25.027 8.403 393 HG CYS 57 HG CYS 57 -4.623 27.326 6.850 394 H GLY 58 H GLY 58 -0.985 24.435 4.418 395 HA2 GLY 58 HA2 GLY 58 -1.336 24.868 2.177 396 HA3 GLY 58 HA3 GLY 58 -2.531 23.591 2.352 397 H PHE 59 H PHE 59 -2.543 26.866 3.710 398 HA PHE 59 HA PHE 59 -5.186 27.273 2.534 399 HB2 PHE 59 HB2 PHE 59 -5.092 27.746 4.879 400 HB3 PHE 59 HB3 PHE 59 -3.658 28.749 4.680 401 HD1 PHE 59 HD1 PHE 59 -7.076 28.595 3.178 402 HD2 PHE 59 HD2 PHE 59 -4.036 30.985 4.956 403 HE1 PHE 59 HE1 PHE 59 -8.507 30.583 2.944 404 HE2 PHE 59 HE2 PHE 59 -5.462 32.977 4.726 405 HZ PHE 59 HZ PHE 59 -7.701 32.777 3.719 406 H MET 60 H MET 60 -5.124 28.058 0.523 407 HA MET 60 HA MET 60 -3.021 29.858 -0.322 408 HB2 MET 60 HB2 MET 60 -5.445 28.874 -1.837 409 HB3 MET 60 HB3 MET 60 -4.062 29.713 -2.527 410 HG2 MET 60 HG2 MET 60 -2.767 27.873 -2.521 411 HG3 MET 60 HG3 MET 60 -3.451 27.264 -1.016 412 HE1 MET 60 HE1 MET 60 -3.204 24.816 -3.611 413 HE2 MET 60 HE2 MET 60 -3.860 25.711 -4.981 414 HE3 MET 60 HE3 MET 60 -2.580 26.420 -3.996 415 H GLY 61 H GLY 61 -3.124 31.992 -0.125 416 HA2 GLY 61 HA2 GLY 61 -5.762 33.295 -0.259 417 HA3 GLY 61 HA3 GLY 61 -4.673 33.665 1.069 418 HA PRO 62 HA PRO 62 -3.968 36.610 -2.511 419 HB2 PRO 62 HB2 PRO 62 -4.463 38.883 -1.111 420 HB3 PRO 62 HB3 PRO 62 -5.727 37.978 -1.952 421 HG2 PRO 62 HG2 PRO 62 -4.992 37.955 0.950 422 HG3 PRO 62 HG3 PRO 62 -6.600 37.988 0.204 423 HD2 PRO 62 HD2 PRO 62 -5.496 35.719 1.186 424 HD3 PRO 62 HD3 PRO 62 -6.593 35.721 -0.211 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -5.006 16.648 5.190 2 HA2 GLY 1 HA2 GLY 1 -4.083 15.519 7.677 3 HA3 GLY 1 HA3 GLY 1 -5.615 15.186 6.882 4 H ALA 2 H ALA 2 -2.378 14.823 5.514 5 HA ALA 2 HA ALA 2 -2.516 11.929 5.761 6 HB1 ALA 2 HB1 ALA 2 -3.770 12.299 3.727 7 HB2 ALA 2 HB2 ALA 2 -2.469 13.293 3.072 8 HB3 ALA 2 HB3 ALA 2 -2.211 11.569 3.340 9 H MET 3 H MET 3 -0.522 10.881 5.384 10 HA MET 3 HA MET 3 1.766 12.534 5.925 11 HB2 MET 3 HB2 MET 3 2.982 10.482 6.182 12 HB3 MET 3 HB3 MET 3 1.409 10.278 6.943 13 HG2 MET 3 HG2 MET 3 0.668 9.193 4.773 14 HG3 MET 3 HG3 MET 3 2.375 9.152 4.337 15 HE1 MET 3 HE1 MET 3 0.200 6.775 7.556 16 HE2 MET 3 HE2 MET 3 -0.304 8.284 6.795 17 HE3 MET 3 HE3 MET 3 -0.333 6.779 5.875 18 H GLY 4 H GLY 4 3.603 12.805 4.639 19 HA2 GLY 4 HA2 GLY 4 4.275 11.677 2.252 20 HA3 GLY 4 HA3 GLY 4 3.073 12.880 1.810 21 H SER 5 H SER 5 5.128 13.541 0.582 22 HA SER 5 HA SER 5 7.170 14.871 2.090 23 HB2 SER 5 HB2 SER 5 6.503 14.783 -0.854 24 HB3 SER 5 HB3 SER 5 7.835 15.744 -0.213 25 HG SER 5 HG SER 5 8.447 13.619 0.820 26 H GLU 6 H GLU 6 4.257 15.844 0.372 27 HA GLU 6 HA GLU 6 4.673 18.621 0.410 28 HB2 GLU 6 HB2 GLU 6 2.849 17.153 -0.777 29 HB3 GLU 6 HB3 GLU 6 1.928 17.459 0.689 30 HG2 GLU 6 HG2 GLU 6 3.162 19.775 -0.697 31 HG3 GLU 6 HG3 GLU 6 1.745 19.020 -1.425 32 H SER 7 H SER 7 2.859 16.544 2.663 33 HA SER 7 HA SER 7 2.059 18.523 4.448 34 HB2 SER 7 HB2 SER 7 2.103 16.567 6.147 35 HB3 SER 7 HB3 SER 7 1.042 16.429 4.745 36 HG SER 7 HG SER 7 2.702 14.656 5.429 37 H GLU 8 H GLU 8 5.018 16.569 4.419 38 HA GLU 8 HA GLU 8 6.069 17.972 6.730 39 HB2 GLU 8 HB2 GLU 8 7.910 16.451 6.630 40 HB3 GLU 8 HB3 GLU 8 6.445 15.523 6.344 41 HG2 GLU 8 HG2 GLU 8 6.945 15.805 3.865 42 HG3 GLU 8 HG3 GLU 8 8.545 16.345 4.371 43 H GLN 9 H GLN 9 8.660 18.353 6.308 44 HA GLN 9 HA GLN 9 8.924 19.984 3.883 45 HB2 GLN 9 HB2 GLN 9 9.821 20.948 6.598 46 HB3 GLN 9 HB3 GLN 9 9.806 21.852 5.089 47 HG2 GLN 9 HG2 GLN 9 7.324 21.674 5.085 48 HG3 GLN 9 HG3 GLN 9 7.426 20.942 6.686 49 HE21 GLN 9 HE21 GLN 9 5.965 22.937 6.924 50 HE22 GLN 9 HE22 GLN 9 6.756 24.379 7.451 51 H ARG 10 H ARG 10 11.365 20.932 4.006 52 HA ARG 10 HA ARG 10 13.066 18.563 4.422 53 HB2 ARG 10 HB2 ARG 10 13.672 20.833 2.535 54 HB3 ARG 10 HB3 ARG 10 14.396 19.231 2.577 55 HG2 ARG 10 HG2 ARG 10 12.966 18.626 1.001 56 HG3 ARG 10 HG3 ARG 10 11.672 18.786 2.190 57 HD2 ARG 10 HD2 ARG 10 10.889 20.200 0.579 58 HD3 ARG 10 HD3 ARG 10 11.852 21.333 1.527 59 HE ARG 10 HE ARG 10 13.470 20.211 -0.473 60 HH11 ARG 10 HH11 ARG 10 10.772 22.382 -0.115 61 HH12 ARG 10 HH12 ARG 10 11.149 23.294 -1.539 62 HH21 ARG 10 HH21 ARG 10 13.977 21.404 -2.350 63 HH22 ARG 10 HH22 ARG 10 12.972 22.736 -2.810 64 H HIS 11 H HIS 11 12.473 20.457 6.485 65 HA HIS 11 HA HIS 11 13.474 21.767 8.059 66 HB2 HIS 11 HB2 HIS 11 15.897 20.271 7.043 67 HB3 HIS 11 HB3 HIS 11 15.865 21.227 8.521 68 HD1 HIS 11 HD1 HIS 11 14.572 20.248 10.539 69 HD2 HIS 11 HD2 HIS 11 14.637 17.781 7.197 70 HE1 HIS 11 HE1 HIS 11 13.780 18.002 11.346 71 H ALA 12 H ALA 12 12.981 23.178 5.784 72 HA ALA 12 HA ALA 12 15.024 25.216 5.927 73 HB1 ALA 12 HB1 ALA 12 14.594 24.891 3.141 74 HB2 ALA 12 HB2 ALA 12 16.102 24.755 4.045 75 HB3 ALA 12 HB3 ALA 12 15.087 23.333 3.804 76 H HIS 13 H HIS 13 13.849 26.975 6.287 77 HA HIS 13 HA HIS 13 11.144 27.193 5.268 78 HB2 HIS 13 HB2 HIS 13 12.678 29.243 6.870 79 HB3 HIS 13 HB3 HIS 13 10.932 29.118 6.680 80 HD1 HIS 13 HD1 HIS 13 12.364 29.117 9.459 81 HD2 HIS 13 HD2 HIS 13 11.138 25.727 7.393 82 HE1 HIS 13 HE1 HIS 13 12.090 27.328 11.205 83 H GLN 14 H GLN 14 10.974 27.744 3.184 84 HA GLN 14 HA GLN 14 12.805 29.729 2.062 85 HB2 GLN 14 HB2 GLN 14 11.073 27.591 0.948 86 HB3 GLN 14 HB3 GLN 14 11.306 29.021 -0.048 87 HG2 GLN 14 HG2 GLN 14 13.624 28.684 -0.180 88 HG3 GLN 14 HG3 GLN 14 13.611 27.518 1.142 89 HE21 GLN 14 HE21 GLN 14 14.497 25.826 0.067 90 HE22 GLN 14 HE22 GLN 14 13.739 25.025 -1.263 91 H CYS 15 H CYS 15 11.789 31.304 0.477 92 HA CYS 15 HA CYS 15 9.773 32.795 1.884 93 HB2 CYS 15 HB2 CYS 15 11.755 33.802 0.668 94 HB3 CYS 15 HB3 CYS 15 10.931 33.411 -0.836 95 HG CYS 15 HG CYS 15 9.230 35.244 1.445 96 H VAL 16 H VAL 16 7.669 33.110 1.340 97 HA VAL 16 HA VAL 16 6.369 31.151 -0.234 98 HB VAL 16 HB VAL 16 4.319 32.356 0.200 99 HG11 VAL 16 HG11 VAL 16 5.979 32.642 2.688 100 HG12 VAL 16 HG12 VAL 16 4.278 32.200 2.545 101 HG13 VAL 16 HG13 VAL 16 5.530 31.067 2.034 102 HG21 VAL 16 HG21 VAL 16 4.329 34.538 1.333 103 HG22 VAL 16 HG22 VAL 16 6.086 34.590 1.198 104 HG23 VAL 16 HG23 VAL 16 5.088 34.616 -0.256 105 H SER 17 H SER 17 7.599 34.325 -0.926 106 HA SER 17 HA SER 17 6.112 34.670 -3.361 107 HB2 SER 17 HB2 SER 17 6.692 36.768 -2.744 108 HB3 SER 17 HB3 SER 17 8.078 36.209 -1.807 109 HG SER 17 HG SER 17 9.328 36.585 -3.456 110 H CYS 18 H CYS 18 9.605 34.290 -2.728 111 HA CYS 18 HA CYS 18 9.848 33.033 -5.380 112 HB2 CYS 18 HB2 CYS 18 11.651 34.821 -3.808 113 HB3 CYS 18 HB3 CYS 18 12.382 33.634 -4.882 114 HG CYS 18 HG CYS 18 11.787 36.504 -5.773 115 H GLY 19 H GLY 19 11.950 33.002 -2.512 116 HA2 GLY 19 HA2 GLY 19 11.532 30.616 -1.371 117 HA3 GLY 19 HA3 GLY 19 12.345 30.144 -2.855 118 H ILE 20 H ILE 20 12.969 33.036 -0.929 119 HA ILE 20 HA ILE 20 15.747 32.764 -0.999 120 HB ILE 20 HB ILE 20 14.083 34.240 1.045 121 HG12 ILE 20 HG12 ILE 20 15.204 36.079 -0.687 122 HG13 ILE 20 HG13 ILE 20 14.758 34.753 -1.755 123 HG21 ILE 20 HG21 ILE 20 16.164 34.191 2.024 124 HG22 ILE 20 HG22 ILE 20 17.009 34.155 0.476 125 HG23 ILE 20 HG23 ILE 20 16.279 35.655 1.047 126 HD11 ILE 20 HD11 ILE 20 13.106 36.756 -1.014 127 HD12 ILE 20 HD12 ILE 20 12.569 35.161 -1.543 128 HD13 ILE 20 HD13 ILE 20 12.696 35.523 0.178 129 H ASN 21 H ASN 21 17.261 32.016 0.465 130 HA ASN 21 HA ASN 21 16.427 29.808 2.095 131 HB2 ASN 21 HB2 ASN 21 19.171 31.065 1.875 132 HB3 ASN 21 HB3 ASN 21 18.796 29.468 2.514 133 HD21 ASN 21 HD21 ASN 21 19.438 31.328 -0.262 134 HD22 ASN 21 HD22 ASN 21 19.280 30.066 -1.430 135 H ILE 22 H ILE 22 15.025 31.474 3.340 136 HA ILE 22 HA ILE 22 16.532 32.813 5.456 137 HB ILE 22 HB ILE 22 14.308 33.722 6.137 138 HG12 ILE 22 HG12 ILE 22 13.325 32.548 3.532 139 HG13 ILE 22 HG13 ILE 22 13.017 31.809 5.100 140 HG21 ILE 22 HG21 ILE 22 14.325 34.571 3.375 141 HG22 ILE 22 HG22 ILE 22 14.760 35.465 4.831 142 HG23 ILE 22 HG23 ILE 22 15.960 34.453 4.027 143 HD11 ILE 22 HD11 ILE 22 11.426 33.647 3.834 144 HD12 ILE 22 HD12 ILE 22 11.359 33.218 5.544 145 HD13 ILE 22 HD13 ILE 22 12.294 34.619 5.022 146 H ALA 23 H ALA 23 16.525 29.965 5.440 147 HA ALA 23 HA ALA 23 14.613 28.842 7.171 148 HB1 ALA 23 HB1 ALA 23 16.165 27.568 5.691 149 HB2 ALA 23 HB2 ALA 23 17.463 27.929 6.829 150 HB3 ALA 23 HB3 ALA 23 16.081 26.963 7.346 151 H GLY 24 H GLY 24 14.233 29.403 9.209 152 HA2 GLY 24 HA2 GLY 24 14.596 29.876 11.430 153 HA3 GLY 24 HA3 GLY 24 16.255 29.344 11.199 154 H MET 25 H MET 25 15.175 31.831 9.106 155 HA MET 25 HA MET 25 17.056 33.681 10.263 156 HB2 MET 25 HB2 MET 25 15.397 33.564 7.801 157 HB3 MET 25 HB3 MET 25 15.874 35.158 8.370 158 HG2 MET 25 HG2 MET 25 17.797 32.906 7.848 159 HG3 MET 25 HG3 MET 25 17.397 34.165 6.681 160 HE1 MET 25 HE1 MET 25 19.271 35.161 6.140 161 HE2 MET 25 HE2 MET 25 20.303 36.206 7.118 162 HE3 MET 25 HE3 MET 25 20.602 34.468 7.067 163 H SER 26 H SER 26 16.225 36.093 10.297 164 HA SER 26 HA SER 26 13.959 36.112 12.158 165 HB2 SER 26 HB2 SER 26 16.195 37.059 12.858 166 HB3 SER 26 HB3 SER 26 15.951 38.333 11.664 167 HG SER 26 HG SER 26 14.188 37.747 13.811 168 H ALA 27 H ALA 27 13.463 35.912 9.359 169 HA ALA 27 HA ALA 27 12.697 38.525 8.401 170 HB1 ALA 27 HB1 ALA 27 11.976 35.845 7.229 171 HB2 ALA 27 HB2 ALA 27 11.961 37.413 6.421 172 HB3 ALA 27 HB3 ALA 27 13.493 36.687 6.908 173 H ALA 28 H ALA 28 10.295 38.225 7.232 174 HA ALA 28 HA ALA 28 8.490 38.524 9.412 175 HB1 ALA 28 HB1 ALA 28 8.522 39.164 6.656 176 HB2 ALA 28 HB2 ALA 28 7.070 38.212 6.964 177 HB3 ALA 28 HB3 ALA 28 7.372 39.683 7.888 178 H THR 29 H THR 29 7.367 37.018 10.444 179 HA THR 29 HA THR 29 6.777 34.489 9.054 180 HB THR 29 HB THR 29 6.951 34.038 11.877 181 HG1 THR 29 HG1 THR 29 8.489 35.555 12.160 182 HG21 THR 29 HG21 THR 29 8.682 32.393 11.134 183 HG22 THR 29 HG22 THR 29 7.152 32.270 10.265 184 HG23 THR 29 HG23 THR 29 8.537 33.054 9.505 185 H PHE 30 H PHE 30 4.733 33.758 9.220 186 HA PHE 30 HA PHE 30 2.982 34.794 11.308 187 HB2 PHE 30 HB2 PHE 30 1.387 35.743 9.895 188 HB3 PHE 30 HB3 PHE 30 2.903 36.247 9.155 189 HD1 PHE 30 HD1 PHE 30 3.795 34.828 7.221 190 HD2 PHE 30 HD2 PHE 30 -0.207 34.602 8.655 191 HE1 PHE 30 HE1 PHE 30 3.092 33.817 5.091 192 HE2 PHE 30 HE2 PHE 30 -0.915 33.590 6.527 193 HZ PHE 30 HZ PHE 30 0.735 33.196 4.742 194 H LYS 31 H LYS 31 1.104 33.537 11.654 195 HA LYS 31 HA LYS 31 1.413 30.775 10.787 196 HB2 LYS 31 HB2 LYS 31 1.076 31.043 13.134 197 HB3 LYS 31 HB3 LYS 31 -0.308 32.099 12.882 198 HG2 LYS 31 HG2 LYS 31 -1.558 30.206 11.937 199 HG3 LYS 31 HG3 LYS 31 -0.176 29.155 12.259 200 HD2 LYS 31 HD2 LYS 31 -1.275 30.767 14.506 201 HD3 LYS 31 HD3 LYS 31 -2.192 29.361 13.961 202 HE2 LYS 31 HE2 LYS 31 -0.827 28.470 15.608 203 HE3 LYS 31 HE3 LYS 31 0.071 28.119 14.133 204 HZ1 LYS 31 HZ1 LYS 31 1.056 29.386 16.320 205 HZ2 LYS 31 HZ2 LYS 31 1.747 29.415 14.775 206 HZ3 LYS 31 HZ3 LYS 31 0.727 30.671 15.269 207 H CYS 32 H CYS 32 0.223 29.862 9.247 208 HA CYS 32 HA CYS 32 -1.646 31.340 7.729 209 HB2 CYS 32 HB2 CYS 32 -0.227 29.405 6.921 210 HB3 CYS 32 HB3 CYS 32 -1.352 28.335 7.748 211 HG CYS 32 HG CYS 32 -2.401 30.526 5.350 212 HA PRO 33 HA PRO 33 -5.206 30.764 10.319 213 HB2 PRO 33 HB2 PRO 33 -6.998 31.895 8.622 214 HB3 PRO 33 HB3 PRO 33 -5.868 32.842 9.597 215 HG2 PRO 33 HG2 PRO 33 -5.678 32.046 6.718 216 HG3 PRO 33 HG3 PRO 33 -5.310 33.607 7.473 217 HD2 PRO 33 HD2 PRO 33 -3.386 31.823 6.803 218 HD3 PRO 33 HD3 PRO 33 -3.237 32.909 8.200 219 H ASP 34 H ASP 34 -4.520 29.253 7.384 220 HA ASP 34 HA ASP 34 -7.061 27.845 7.200 221 HB2 ASP 34 HB2 ASP 34 -5.638 28.654 5.201 222 HB3 ASP 34 HB3 ASP 34 -4.621 27.257 5.541 223 H CYS 35 H CYS 35 -3.623 26.961 7.549 224 HA CYS 35 HA CYS 35 -4.493 24.461 8.838 225 HB2 CYS 35 HB2 CYS 35 -2.147 23.670 8.254 226 HB3 CYS 35 HB3 CYS 35 -3.246 23.906 6.900 227 HG CYS 35 HG CYS 35 -0.576 24.737 6.300 228 H GLY 36 H GLY 36 -2.106 27.080 8.997 229 HA2 GLY 36 HA2 GLY 36 -1.576 28.134 11.085 230 HA3 GLY 36 HA3 GLY 36 -1.936 26.618 11.898 231 H GLN 37 H GLN 37 -0.060 26.534 8.998 232 HA GLN 37 HA GLN 37 2.194 25.480 10.472 233 HB2 GLN 37 HB2 GLN 37 1.842 25.916 7.501 234 HB3 GLN 37 HB3 GLN 37 3.148 25.015 8.259 235 HG2 GLN 37 HG2 GLN 37 0.321 24.213 8.760 236 HG3 GLN 37 HG3 GLN 37 1.105 23.769 7.245 237 HE21 GLN 37 HE21 GLN 37 2.490 22.102 7.215 238 HE22 GLN 37 HE22 GLN 37 2.959 21.188 8.604 239 H GLU 38 H GLU 38 4.028 26.517 10.958 240 HA GLU 38 HA GLU 38 4.243 29.288 10.854 241 HB2 GLU 38 HB2 GLU 38 5.519 27.836 12.399 242 HB3 GLU 38 HB3 GLU 38 6.499 27.286 11.048 243 HG2 GLU 38 HG2 GLU 38 7.327 29.550 10.710 244 HG3 GLU 38 HG3 GLU 38 6.328 30.120 12.046 245 H ILE 39 H ILE 39 4.388 30.526 9.111 246 HA ILE 39 HA ILE 39 5.873 29.533 6.777 247 HB ILE 39 HB ILE 39 4.132 31.964 6.683 248 HG12 ILE 39 HG12 ILE 39 3.182 29.094 6.552 249 HG13 ILE 39 HG13 ILE 39 2.721 30.299 7.750 250 HG21 ILE 39 HG21 ILE 39 4.539 29.828 4.609 251 HG22 ILE 39 HG22 ILE 39 3.965 31.481 4.387 252 HG23 ILE 39 HG23 ILE 39 5.653 31.182 4.803 253 HD11 ILE 39 HD11 ILE 39 2.139 31.358 5.193 254 HD12 ILE 39 HD12 ILE 39 1.506 29.714 5.261 255 HD13 ILE 39 HD13 ILE 39 1.021 30.896 6.477 256 H SER 40 H SER 40 7.716 30.472 6.167 257 HA SER 40 HA SER 40 8.498 32.972 7.514 258 HB2 SER 40 HB2 SER 40 9.817 30.691 7.769 259 HB3 SER 40 HB3 SER 40 10.519 31.183 6.227 260 HG SER 40 HG SER 40 11.775 32.000 7.892 261 H ARG 41 H ARG 41 8.671 34.725 6.296 262 HA ARG 41 HA ARG 41 9.266 34.409 3.432 263 HB2 ARG 41 HB2 ARG 41 7.453 36.591 4.400 264 HB3 ARG 41 HB3 ARG 41 7.598 35.903 2.788 265 HG2 ARG 41 HG2 ARG 41 5.686 34.869 3.330 266 HG3 ARG 41 HG3 ARG 41 6.756 33.742 4.168 267 HD2 ARG 41 HD2 ARG 41 4.899 34.451 5.595 268 HD3 ARG 41 HD3 ARG 41 6.453 34.973 6.244 269 HE ARG 41 HE ARG 41 5.737 37.126 6.052 270 HH11 ARG 41 HH11 ARG 41 3.856 35.140 3.898 271 HH12 ARG 41 HH12 ARG 41 2.804 36.430 3.417 272 HH21 ARG 41 HH21 ARG 41 4.358 38.832 5.427 273 HH22 ARG 41 HH22 ARG 41 3.091 38.530 4.287 274 H CYS 42 H CYS 42 10.977 35.538 2.793 275 HA CYS 42 HA CYS 42 12.567 37.054 4.488 276 HB2 CYS 42 HB2 CYS 42 13.012 36.013 2.104 277 HB3 CYS 42 HB3 CYS 42 12.586 37.629 1.553 278 HG CYS 42 HG CYS 42 14.915 38.626 1.906 279 H SER 43 H SER 43 13.180 39.377 4.171 280 HA SER 43 HA SER 43 11.120 41.077 4.827 281 HB2 SER 43 HB2 SER 43 13.801 41.653 3.565 282 HB3 SER 43 HB3 SER 43 12.702 42.933 4.078 283 HG SER 43 HG SER 43 13.829 42.632 5.870 284 H LYS 44 H LYS 44 12.290 40.183 1.650 285 HA LYS 44 HA LYS 44 11.159 42.142 0.065 286 HB2 LYS 44 HB2 LYS 44 11.346 39.186 -0.544 287 HB3 LYS 44 HB3 LYS 44 11.115 40.463 -1.732 288 HG2 LYS 44 HG2 LYS 44 13.520 40.246 0.064 289 HG3 LYS 44 HG3 LYS 44 13.442 39.608 -1.580 290 HD2 LYS 44 HD2 LYS 44 13.199 41.776 -2.506 291 HD3 LYS 44 HD3 LYS 44 12.889 42.493 -0.923 292 HE2 LYS 44 HE2 LYS 44 15.136 43.023 -1.603 293 HE3 LYS 44 HE3 LYS 44 15.196 41.894 -0.251 294 HZ1 LYS 44 HZ1 LYS 44 16.291 41.609 -2.829 295 HZ2 LYS 44 HZ2 LYS 44 16.439 40.576 -1.498 296 HZ3 LYS 44 HZ3 LYS 44 15.154 40.380 -2.581 297 H CYS 45 H CYS 45 9.621 39.518 1.756 298 HA CYS 45 HA CYS 45 7.227 39.260 0.415 299 HB2 CYS 45 HB2 CYS 45 6.334 38.324 2.388 300 HB3 CYS 45 HB3 CYS 45 8.058 37.983 2.468 301 HG CYS 45 HG CYS 45 6.152 39.821 4.503 302 H ARG 46 H ARG 46 8.364 41.897 2.357 303 HA ARG 46 HA ARG 46 6.054 43.155 3.153 304 HB2 ARG 46 HB2 ARG 46 8.672 44.281 2.178 305 HB3 ARG 46 HB3 ARG 46 7.377 45.315 2.767 306 HG2 ARG 46 HG2 ARG 46 7.447 44.198 4.928 307 HG3 ARG 46 HG3 ARG 46 8.718 43.124 4.339 308 HD2 ARG 46 HD2 ARG 46 10.188 45.042 3.998 309 HD3 ARG 46 HD3 ARG 46 8.914 46.127 4.554 310 HE ARG 46 HE ARG 46 10.632 44.484 6.180 311 HH11 ARG 46 HH11 ARG 46 7.607 46.198 6.008 312 HH12 ARG 46 HH12 ARG 46 7.459 46.373 7.725 313 HH21 ARG 46 HH21 ARG 46 10.449 44.708 8.443 314 HH22 ARG 46 HH22 ARG 46 9.076 45.526 9.109 315 H LYS 47 H LYS 47 7.513 43.086 -0.046 316 HA LYS 47 HA LYS 47 5.609 44.962 -1.142 317 HB2 LYS 47 HB2 LYS 47 7.954 44.788 -1.970 318 HB3 LYS 47 HB3 LYS 47 7.582 43.183 -2.585 319 HG2 LYS 47 HG2 LYS 47 7.263 44.379 -4.482 320 HG3 LYS 47 HG3 LYS 47 5.638 44.504 -3.804 321 HD2 LYS 47 HD2 LYS 47 7.550 46.569 -2.926 322 HD3 LYS 47 HD3 LYS 47 7.100 46.622 -4.632 323 HE2 LYS 47 HE2 LYS 47 5.162 46.571 -2.320 324 HE3 LYS 47 HE3 LYS 47 5.639 48.015 -3.212 325 HZ1 LYS 47 HZ1 LYS 47 3.585 46.266 -3.822 326 HZ2 LYS 47 HZ2 LYS 47 4.144 47.557 -4.762 327 HZ3 LYS 47 HZ3 LYS 47 4.771 46.004 -5.001 328 H GLN 48 H GLN 48 6.045 41.489 -0.993 329 HA GLN 48 HA GLN 48 3.936 40.939 -2.879 330 HB2 GLN 48 HB2 GLN 48 5.350 39.075 -0.965 331 HB3 GLN 48 HB3 GLN 48 4.315 38.592 -2.302 332 HG2 GLN 48 HG2 GLN 48 6.579 40.337 -3.003 333 HG3 GLN 48 HG3 GLN 48 6.996 38.720 -2.438 334 HE21 GLN 48 HE21 GLN 48 6.835 40.284 -5.127 335 HE22 GLN 48 HE22 GLN 48 6.138 39.119 -6.195 336 H SER 49 H SER 49 3.882 42.108 0.160 337 HA SER 49 HA SER 49 2.082 40.564 1.599 338 HB2 SER 49 HB2 SER 49 3.361 42.808 2.181 339 HB3 SER 49 HB3 SER 49 1.831 43.542 1.701 340 HG SER 49 HG SER 49 2.358 42.606 4.027 341 H ASN 50 H ASN 50 1.519 42.820 -1.023 342 HA ASN 50 HA ASN 50 -1.200 43.253 -0.808 343 HB2 ASN 50 HB2 ASN 50 0.212 42.771 -3.433 344 HB3 ASN 50 HB3 ASN 50 -1.191 43.794 -3.136 345 HD21 ASN 50 HD21 ASN 50 -0.441 45.193 -0.934 346 HD22 ASN 50 HD22 ASN 50 0.923 46.188 -1.300 347 H LEU 51 H LEU 51 0.510 40.423 -1.968 348 HA LEU 51 HA LEU 51 -1.921 38.864 -1.777 349 HB2 LEU 51 HB2 LEU 51 -0.611 39.533 -4.352 350 HB3 LEU 51 HB3 LEU 51 -1.177 37.877 -4.136 351 HG LEU 51 HG LEU 51 -2.947 40.293 -3.808 352 HD11 LEU 51 HD11 LEU 51 -1.875 39.867 -6.138 353 HD12 LEU 51 HD12 LEU 51 -3.004 38.513 -6.205 354 HD13 LEU 51 HD13 LEU 51 -3.610 40.158 -6.012 355 HD21 LEU 51 HD21 LEU 51 -4.092 37.719 -4.573 356 HD22 LEU 51 HD22 LEU 51 -3.311 37.704 -2.991 357 HD23 LEU 51 HD23 LEU 51 -4.597 38.863 -3.328 358 H TYR 52 H TYR 52 -1.400 37.069 -0.734 359 HA TYR 52 HA TYR 52 1.255 35.884 -1.201 360 HB2 TYR 52 HB2 TYR 52 1.564 35.450 1.091 361 HB3 TYR 52 HB3 TYR 52 0.947 37.097 1.039 362 HD1 TYR 52 HD1 TYR 52 -1.687 37.286 1.241 363 HD2 TYR 52 HD2 TYR 52 0.611 33.966 2.584 364 HE1 TYR 52 HE1 TYR 52 -3.501 36.658 2.778 365 HE2 TYR 52 HE2 TYR 52 -1.198 33.329 4.123 366 HH TYR 52 HH TYR 52 -3.150 34.626 5.307 367 H GLU 53 H GLU 53 1.291 33.552 -0.296 368 HA GLU 53 HA GLU 53 -1.218 32.140 -0.379 369 HB2 GLU 53 HB2 GLU 53 -0.840 32.397 -2.762 370 HB3 GLU 53 HB3 GLU 53 0.800 31.785 -2.600 371 HG2 GLU 53 HG2 GLU 53 -0.202 29.630 -1.778 372 HG3 GLU 53 HG3 GLU 53 -1.771 30.270 -2.264 373 H CYS 54 H CYS 54 -1.103 30.355 0.839 374 HA CYS 54 HA CYS 54 1.368 29.702 2.137 375 HB2 CYS 54 HB2 CYS 54 -0.820 29.627 3.303 376 HB3 CYS 54 HB3 CYS 54 -1.301 28.284 2.273 377 HG CYS 54 HG CYS 54 0.185 28.153 5.131 378 HA PRO 55 HA PRO 55 2.536 26.798 -1.065 379 HB2 PRO 55 HB2 PRO 55 4.962 26.217 0.007 380 HB3 PRO 55 HB3 PRO 55 4.647 27.693 -0.913 381 HG2 PRO 55 HG2 PRO 55 4.744 27.294 2.052 382 HG3 PRO 55 HG3 PRO 55 5.418 28.614 1.078 383 HD2 PRO 55 HD2 PRO 55 3.089 28.850 2.439 384 HD3 PRO 55 HD3 PRO 55 3.388 29.690 0.904 385 H ASP 56 H ASP 56 1.983 26.294 2.262 386 HA ASP 56 HA ASP 56 2.652 23.490 2.292 387 HB2 ASP 56 HB2 ASP 56 2.638 25.158 4.285 388 HB3 ASP 56 HB3 ASP 56 0.907 24.837 4.333 389 H CYS 57 H CYS 57 -0.407 25.300 2.619 390 HA CYS 57 HA CYS 57 -1.821 22.907 1.656 391 HB2 CYS 57 HB2 CYS 57 -3.842 23.940 2.693 392 HB3 CYS 57 HB3 CYS 57 -2.571 23.570 3.851 393 HG CYS 57 HG CYS 57 -3.347 25.897 4.855 394 H GLY 58 H GLY 58 -0.456 25.059 0.066 395 HA2 GLY 58 HA2 GLY 58 -0.880 26.455 -1.726 396 HA3 GLY 58 HA3 GLY 58 -2.016 25.184 -2.151 397 H PHE 59 H PHE 59 -2.168 27.421 0.587 398 HA PHE 59 HA PHE 59 -4.861 28.166 -0.213 399 HB2 PHE 59 HB2 PHE 59 -4.544 27.631 2.119 400 HB3 PHE 59 HB3 PHE 59 -3.231 28.797 2.254 401 HD1 PHE 59 HD1 PHE 59 -6.760 28.838 1.027 402 HD2 PHE 59 HD2 PHE 59 -3.769 30.678 3.432 403 HE1 PHE 59 HE1 PHE 59 -8.372 30.569 1.701 404 HE2 PHE 59 HE2 PHE 59 -5.377 32.412 4.111 405 HZ PHE 59 HZ PHE 59 -7.682 32.359 3.244 406 H MET 60 H MET 60 -4.902 29.653 -1.794 407 HA MET 60 HA MET 60 -2.984 31.823 -1.854 408 HB2 MET 60 HB2 MET 60 -5.346 31.276 -3.661 409 HB3 MET 60 HB3 MET 60 -4.073 32.454 -3.952 410 HG2 MET 60 HG2 MET 60 -2.589 30.895 -4.627 411 HG3 MET 60 HG3 MET 60 -3.204 29.670 -3.520 412 HE1 MET 60 HE1 MET 60 -5.653 31.284 -6.785 413 HE2 MET 60 HE2 MET 60 -4.087 31.921 -6.282 414 HE3 MET 60 HE3 MET 60 -4.192 30.823 -7.658 415 H GLY 61 H GLY 61 -3.274 33.662 -0.788 416 HA2 GLY 61 HA2 GLY 61 -6.027 34.659 -0.436 417 HA3 GLY 61 HA3 GLY 61 -4.920 34.602 0.929 418 HA PRO 62 HA PRO 62 -4.645 38.723 -1.334 419 HB2 PRO 62 HB2 PRO 62 -5.475 40.268 0.738 420 HB3 PRO 62 HB3 PRO 62 -6.587 39.573 -0.448 421 HG2 PRO 62 HG2 PRO 62 -5.908 38.610 2.304 422 HG3 PRO 62 HG3 PRO 62 -7.492 38.708 1.511 423 HD2 PRO 62 HD2 PRO 62 -6.101 36.393 1.708 424 HD3 PRO 62 HD3 PRO 62 -7.161 36.756 0.331 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -1.295 13.295 -5.126 2 HA2 GLY 1 HA2 GLY 1 -2.025 12.211 -2.559 3 HA3 GLY 1 HA3 GLY 1 -0.774 11.282 -3.371 4 H ALA 2 H ALA 2 -0.683 12.868 -0.884 5 HA ALA 2 HA ALA 2 1.227 14.969 -1.627 6 HB1 ALA 2 HB1 ALA 2 0.870 15.130 1.106 7 HB2 ALA 2 HB2 ALA 2 0.062 16.116 -0.112 8 HB3 ALA 2 HB3 ALA 2 -0.720 14.661 0.504 9 H MET 3 H MET 3 3.018 13.653 -2.071 10 HA MET 3 HA MET 3 4.010 11.888 0.015 11 HB2 MET 3 HB2 MET 3 4.698 12.408 -2.839 12 HB3 MET 3 HB3 MET 3 5.949 11.746 -1.795 13 HG2 MET 3 HG2 MET 3 5.036 9.829 -2.617 14 HG3 MET 3 HG3 MET 3 4.080 10.034 -1.151 15 HE1 MET 3 HE1 MET 3 4.462 10.834 -4.762 16 HE2 MET 3 HE2 MET 3 3.523 9.381 -5.106 17 HE3 MET 3 HE3 MET 3 2.836 10.972 -5.432 18 H GLY 4 H GLY 4 5.541 12.404 1.451 19 HA2 GLY 4 HA2 GLY 4 7.534 14.411 0.899 20 HA3 GLY 4 HA3 GLY 4 6.339 14.925 2.081 21 H SER 5 H SER 5 5.894 12.634 3.507 22 HA SER 5 HA SER 5 8.059 12.609 5.291 23 HB2 SER 5 HB2 SER 5 6.875 10.820 6.445 24 HB3 SER 5 HB3 SER 5 5.722 12.045 5.918 25 HG SER 5 HG SER 5 5.813 9.435 5.297 26 H GLU 6 H GLU 6 7.169 10.446 2.659 27 HA GLU 6 HA GLU 6 9.042 8.410 3.225 28 HB2 GLU 6 HB2 GLU 6 7.683 9.229 0.657 29 HB3 GLU 6 HB3 GLU 6 8.717 7.814 0.791 30 HG2 GLU 6 HG2 GLU 6 6.581 6.955 1.032 31 HG3 GLU 6 HG3 GLU 6 7.158 7.094 2.691 32 H SER 7 H SER 7 9.162 11.123 0.920 33 HA SER 7 HA SER 7 11.716 10.653 -0.082 34 HB2 SER 7 HB2 SER 7 11.674 13.246 -0.421 35 HB3 SER 7 HB3 SER 7 10.508 12.242 -1.283 36 HG SER 7 HG SER 7 9.795 14.222 0.003 37 H GLU 8 H GLU 8 10.738 12.790 2.594 38 HA GLU 8 HA GLU 8 13.173 12.248 4.014 39 HB2 GLU 8 HB2 GLU 8 14.098 14.454 4.021 40 HB3 GLU 8 HB3 GLU 8 13.863 13.983 2.343 41 HG2 GLU 8 HG2 GLU 8 11.784 15.291 2.287 42 HG3 GLU 8 HG3 GLU 8 12.081 15.801 3.948 43 H GLN 9 H GLN 9 13.116 12.950 6.173 44 HA GLN 9 HA GLN 9 10.431 13.695 7.087 45 HB2 GLN 9 HB2 GLN 9 12.712 12.209 8.331 46 HB3 GLN 9 HB3 GLN 9 11.524 12.992 9.364 47 HG2 GLN 9 HG2 GLN 9 9.745 11.712 8.242 48 HG3 GLN 9 HG3 GLN 9 10.975 10.886 7.287 49 HE21 GLN 9 HE21 GLN 9 9.188 9.520 8.889 50 HE22 GLN 9 HE22 GLN 9 10.044 8.791 10.200 51 H ARG 10 H ARG 10 12.398 15.607 6.020 52 HA ARG 10 HA ARG 10 12.800 17.258 8.427 53 HB2 ARG 10 HB2 ARG 10 14.351 17.205 5.834 54 HB3 ARG 10 HB3 ARG 10 14.562 18.431 7.077 55 HG2 ARG 10 HG2 ARG 10 16.260 16.978 7.580 56 HG3 ARG 10 HG3 ARG 10 14.975 16.380 8.632 57 HD2 ARG 10 HD2 ARG 10 14.526 14.555 7.234 58 HD3 ARG 10 HD3 ARG 10 15.382 15.277 5.872 59 HE ARG 10 HE ARG 10 17.351 14.442 6.703 60 HH11 ARG 10 HH11 ARG 10 14.874 14.212 9.138 61 HH12 ARG 10 HH12 ARG 10 15.835 13.249 10.211 62 HH21 ARG 10 HH21 ARG 10 18.627 13.175 8.107 63 HH22 ARG 10 HH22 ARG 10 17.970 12.661 9.624 64 H HIS 11 H HIS 11 12.360 19.498 8.280 65 HA HIS 11 HA HIS 11 10.640 20.260 6.012 66 HB2 HIS 11 HB2 HIS 11 9.418 21.710 7.726 67 HB3 HIS 11 HB3 HIS 11 9.139 19.973 7.814 68 HD1 HIS 11 HD1 HIS 11 8.753 19.592 10.242 69 HD2 HIS 11 HD2 HIS 11 12.104 21.943 9.537 70 HE1 HIS 11 HE1 HIS 11 9.841 19.902 12.488 71 H ALA 12 H ALA 12 10.249 22.828 6.295 72 HA ALA 12 HA ALA 12 12.339 24.427 7.253 73 HB1 ALA 12 HB1 ALA 12 12.952 24.882 4.592 74 HB2 ALA 12 HB2 ALA 12 13.959 24.043 5.773 75 HB3 ALA 12 HB3 ALA 12 12.882 23.124 4.720 76 H HIS 13 H HIS 13 11.745 26.529 7.202 77 HA HIS 13 HA HIS 13 9.172 27.165 6.060 78 HB2 HIS 13 HB2 HIS 13 11.053 29.052 7.479 79 HB3 HIS 13 HB3 HIS 13 9.311 29.216 7.282 80 HD1 HIS 13 HD1 HIS 13 10.880 29.164 10.047 81 HD2 HIS 13 HD2 HIS 13 8.779 26.008 8.347 82 HE1 HIS 13 HE1 HIS 13 10.269 27.654 11.963 83 H GLN 14 H GLN 14 9.183 27.440 3.903 84 HA GLN 14 HA GLN 14 11.326 28.989 2.660 85 HB2 GLN 14 HB2 GLN 14 9.293 27.047 1.697 86 HB3 GLN 14 HB3 GLN 14 9.809 28.293 0.569 87 HG2 GLN 14 HG2 GLN 14 12.041 27.560 0.615 88 HG3 GLN 14 HG3 GLN 14 11.764 26.557 2.039 89 HE21 GLN 14 HE21 GLN 14 9.995 26.896 -1.013 90 HE22 GLN 14 HE22 GLN 14 10.089 25.229 -1.453 91 H CYS 15 H CYS 15 10.617 30.516 0.874 92 HA CYS 15 HA CYS 15 8.877 32.480 2.023 93 HB2 CYS 15 HB2 CYS 15 10.971 32.962 0.679 94 HB3 CYS 15 HB3 CYS 15 10.059 32.507 -0.755 95 HG CYS 15 HG CYS 15 8.808 34.927 1.270 96 H VAL 16 H VAL 16 6.852 33.089 1.410 97 HA VAL 16 HA VAL 16 5.213 31.162 0.124 98 HB VAL 16 HB VAL 16 3.392 32.720 0.410 99 HG11 VAL 16 HG11 VAL 16 5.333 32.608 2.704 100 HG12 VAL 16 HG12 VAL 16 3.707 33.273 2.865 101 HG13 VAL 16 HG13 VAL 16 3.928 31.584 2.408 102 HG21 VAL 16 HG21 VAL 16 4.464 34.754 -0.348 103 HG22 VAL 16 HG22 VAL 16 3.784 35.004 1.260 104 HG23 VAL 16 HG23 VAL 16 5.520 34.757 1.065 105 H SER 17 H SER 17 6.907 33.995 -0.967 106 HA SER 17 HA SER 17 5.444 34.255 -3.427 107 HB2 SER 17 HB2 SER 17 6.920 36.010 -2.056 108 HB3 SER 17 HB3 SER 17 8.172 35.420 -3.149 109 HG SER 17 HG SER 17 7.311 36.880 -4.417 110 H CYS 18 H CYS 18 8.850 33.425 -2.750 111 HA CYS 18 HA CYS 18 8.862 31.850 -5.236 112 HB2 CYS 18 HB2 CYS 18 10.481 33.661 -5.260 113 HB3 CYS 18 HB3 CYS 18 11.149 33.125 -3.723 114 HG CYS 18 HG CYS 18 12.569 32.540 -6.341 115 H GLY 19 H GLY 19 10.930 31.761 -2.345 116 HA2 GLY 19 HA2 GLY 19 10.124 29.633 -0.951 117 HA3 GLY 19 HA3 GLY 19 10.798 28.854 -2.375 118 H ILE 20 H ILE 20 11.992 31.775 -0.790 119 HA ILE 20 HA ILE 20 14.670 30.974 -0.837 120 HB ILE 20 HB ILE 20 13.350 32.980 0.996 121 HG12 ILE 20 HG12 ILE 20 14.788 34.357 -0.907 122 HG13 ILE 20 HG13 ILE 20 14.131 33.009 -1.830 123 HG21 ILE 20 HG21 ILE 20 16.234 32.392 0.396 124 HG22 ILE 20 HG22 ILE 20 15.701 33.951 1.026 125 HG23 ILE 20 HG23 ILE 20 15.433 32.483 1.965 126 HD11 ILE 20 HD11 ILE 20 12.832 35.299 -1.497 127 HD12 ILE 20 HD12 ILE 20 12.005 33.750 -1.654 128 HD13 ILE 20 HD13 ILE 20 12.262 34.455 -0.058 129 H ASN 21 H ASN 21 16.039 30.091 0.678 130 HA ASN 21 HA ASN 21 14.831 28.326 2.591 131 HB2 ASN 21 HB2 ASN 21 17.673 28.906 1.781 132 HB3 ASN 21 HB3 ASN 21 17.305 27.849 3.140 133 HD21 ASN 21 HD21 ASN 21 17.585 28.114 -0.222 134 HD22 ASN 21 HD22 ASN 21 17.039 26.528 -0.635 135 H ILE 22 H ILE 22 13.858 30.370 3.649 136 HA ILE 22 HA ILE 22 15.713 31.575 5.571 137 HB ILE 22 HB ILE 22 13.793 33.081 6.120 138 HG12 ILE 22 HG12 ILE 22 12.513 31.858 3.669 139 HG13 ILE 22 HG13 ILE 22 12.036 31.470 5.318 140 HG21 ILE 22 HG21 ILE 22 13.934 33.646 3.316 141 HG22 ILE 22 HG22 ILE 22 14.727 34.467 4.660 142 HG23 ILE 22 HG23 ILE 22 15.503 33.083 3.891 143 HD11 ILE 22 HD11 ILE 22 10.933 33.415 3.767 144 HD12 ILE 22 HD12 ILE 22 10.842 33.339 5.526 145 HD13 ILE 22 HD13 ILE 22 12.077 34.330 4.750 146 H ALA 23 H ALA 23 15.080 28.863 5.957 147 HA ALA 23 HA ALA 23 12.959 28.449 7.773 148 HB1 ALA 23 HB1 ALA 23 14.121 26.659 6.495 149 HB2 ALA 23 HB2 ALA 23 15.506 26.850 7.571 150 HB3 ALA 23 HB3 ALA 23 13.954 26.314 8.217 151 H GLY 24 H GLY 24 12.760 29.338 9.719 152 HA2 GLY 24 HA2 GLY 24 13.264 29.986 11.866 153 HA3 GLY 24 HA3 GLY 24 14.746 29.053 11.725 154 H MET 25 H MET 25 14.247 31.440 9.320 155 HA MET 25 HA MET 25 16.526 32.929 10.272 156 HB2 MET 25 HB2 MET 25 14.858 32.907 7.804 157 HB3 MET 25 HB3 MET 25 15.758 34.373 8.171 158 HG2 MET 25 HG2 MET 25 17.005 31.643 8.007 159 HG3 MET 25 HG3 MET 25 16.918 32.771 6.656 160 HE1 MET 25 HE1 MET 25 19.008 31.167 8.289 161 HE2 MET 25 HE2 MET 25 20.389 32.156 7.815 162 HE3 MET 25 HE3 MET 25 19.930 32.039 9.514 163 H SER 26 H SER 26 16.234 35.470 9.872 164 HA SER 26 HA SER 26 14.149 36.267 11.763 165 HB2 SER 26 HB2 SER 26 16.650 36.881 12.004 166 HB3 SER 26 HB3 SER 26 16.335 38.065 10.736 167 HG SER 26 HG SER 26 15.894 38.346 13.297 168 H ALA 27 H ALA 27 13.158 35.648 9.277 169 HA ALA 27 HA ALA 27 12.788 38.173 7.853 170 HB1 ALA 27 HB1 ALA 27 11.271 36.017 6.735 171 HB2 ALA 27 HB2 ALA 27 12.626 36.906 6.039 172 HB3 ALA 27 HB3 ALA 27 12.924 35.486 7.043 173 H ALA 28 H ALA 28 10.316 38.035 6.842 174 HA ALA 28 HA ALA 28 8.676 38.944 8.930 175 HB1 ALA 28 HB1 ALA 28 7.542 39.753 7.204 176 HB2 ALA 28 HB2 ALA 28 8.547 38.809 6.105 177 HB3 ALA 28 HB3 ALA 28 7.053 38.123 6.743 178 H THR 29 H THR 29 8.185 37.586 10.563 179 HA THR 29 HA THR 29 7.031 34.965 9.877 180 HB THR 29 HB THR 29 7.688 35.360 12.695 181 HG1 THR 29 HG1 THR 29 9.879 35.518 12.465 182 HG21 THR 29 HG21 THR 29 8.615 33.169 12.483 183 HG22 THR 29 HG22 THR 29 7.134 33.203 11.525 184 HG23 THR 29 HG23 THR 29 8.704 33.312 10.728 185 H PHE 30 H PHE 30 4.912 34.760 10.118 186 HA PHE 30 HA PHE 30 3.559 36.115 12.316 187 HB2 PHE 30 HB2 PHE 30 1.766 36.941 10.815 188 HB3 PHE 30 HB3 PHE 30 3.322 37.697 10.489 189 HD1 PHE 30 HD1 PHE 30 4.687 36.842 8.540 190 HD2 PHE 30 HD2 PHE 30 0.600 35.815 9.136 191 HE1 PHE 30 HE1 PHE 30 4.511 36.186 6.175 192 HE2 PHE 30 HE2 PHE 30 0.417 35.157 6.772 193 HZ PHE 30 HZ PHE 30 2.373 35.343 5.288 194 H LYS 31 H LYS 31 1.098 35.454 12.189 195 HA LYS 31 HA LYS 31 1.022 32.561 11.631 196 HB2 LYS 31 HB2 LYS 31 0.935 32.884 13.997 197 HB3 LYS 31 HB3 LYS 31 -0.262 34.163 13.842 198 HG2 LYS 31 HG2 LYS 31 -1.890 32.513 13.021 199 HG3 LYS 31 HG3 LYS 31 -0.688 31.241 13.251 200 HD2 LYS 31 HD2 LYS 31 -1.940 31.115 15.200 201 HD3 LYS 31 HD3 LYS 31 -0.576 32.127 15.684 202 HE2 LYS 31 HE2 LYS 31 -1.930 34.127 15.339 203 HE3 LYS 31 HE3 LYS 31 -3.287 33.130 14.817 204 HZ1 LYS 31 HZ1 LYS 31 -2.309 33.670 17.488 205 HZ2 LYS 31 HZ2 LYS 31 -3.870 33.281 16.963 206 HZ3 LYS 31 HZ3 LYS 31 -2.727 32.056 17.199 207 H CYS 32 H CYS 32 -0.405 31.912 10.165 208 HA CYS 32 HA CYS 32 -2.115 33.713 8.820 209 HB2 CYS 32 HB2 CYS 32 -1.107 31.586 7.884 210 HB3 CYS 32 HB3 CYS 32 -2.332 30.702 8.785 211 HG CYS 32 HG CYS 32 -2.961 32.976 6.305 212 HA PRO 33 HA PRO 33 -5.509 33.678 11.682 213 HB2 PRO 33 HB2 PRO 33 -7.215 35.123 10.143 214 HB3 PRO 33 HB3 PRO 33 -5.871 35.851 11.030 215 HG2 PRO 33 HG2 PRO 33 -6.042 35.093 8.139 216 HG3 PRO 33 HG3 PRO 33 -5.362 36.556 8.874 217 HD2 PRO 33 HD2 PRO 33 -3.820 34.494 8.039 218 HD3 PRO 33 HD3 PRO 33 -3.384 35.512 9.426 219 H ASP 34 H ASP 34 -5.321 32.145 8.681 220 HA ASP 34 HA ASP 34 -8.065 31.177 8.693 221 HB2 ASP 34 HB2 ASP 34 -6.636 31.772 6.602 222 HB3 ASP 34 HB3 ASP 34 -5.915 30.183 6.845 223 H CYS 35 H CYS 35 -4.800 29.748 8.811 224 HA CYS 35 HA CYS 35 -5.980 27.400 10.141 225 HB2 CYS 35 HB2 CYS 35 -3.838 26.246 9.371 226 HB3 CYS 35 HB3 CYS 35 -5.006 26.654 8.120 227 HG CYS 35 HG CYS 35 -2.470 27.106 7.081 228 H GLY 36 H GLY 36 -3.162 29.558 10.103 229 HA2 GLY 36 HA2 GLY 36 -2.324 30.482 12.162 230 HA3 GLY 36 HA3 GLY 36 -2.836 29.013 12.979 231 H GLN 37 H GLN 37 -1.280 28.663 9.930 232 HA GLN 37 HA GLN 37 0.931 27.296 11.192 233 HB2 GLN 37 HB2 GLN 37 0.379 27.780 8.260 234 HB3 GLN 37 HB3 GLN 37 1.576 26.672 8.918 235 HG2 GLN 37 HG2 GLN 37 -1.205 26.280 9.818 236 HG3 GLN 37 HG3 GLN 37 -0.864 25.917 8.127 237 HE21 GLN 37 HE21 GLN 37 0.055 25.188 11.437 238 HE22 GLN 37 HE22 GLN 37 0.692 23.615 11.112 239 H GLU 38 H GLU 38 2.805 28.203 11.697 240 HA GLU 38 HA GLU 38 3.429 30.871 11.404 241 HB2 GLU 38 HB2 GLU 38 4.553 29.155 12.900 242 HB3 GLU 38 HB3 GLU 38 5.502 28.682 11.499 243 HG2 GLU 38 HG2 GLU 38 6.285 31.050 11.335 244 HG3 GLU 38 HG3 GLU 38 5.484 31.354 12.876 245 H ILE 39 H ILE 39 3.647 32.008 9.600 246 HA ILE 39 HA ILE 39 4.774 30.723 7.218 247 HB ILE 39 HB ILE 39 3.483 33.441 7.319 248 HG12 ILE 39 HG12 ILE 39 2.172 30.751 6.872 249 HG13 ILE 39 HG13 ILE 39 1.867 31.854 8.209 250 HG21 ILE 39 HG21 ILE 39 4.903 32.692 5.355 251 HG22 ILE 39 HG22 ILE 39 3.638 31.508 5.024 252 HG23 ILE 39 HG23 ILE 39 3.265 33.231 4.983 253 HD11 ILE 39 HD11 ILE 39 0.247 32.781 7.034 254 HD12 ILE 39 HD12 ILE 39 1.428 33.298 5.830 255 HD13 ILE 39 HD13 ILE 39 0.619 31.740 5.659 256 H SER 40 H SER 40 6.646 31.365 6.300 257 HA SER 40 HA SER 40 8.036 33.664 7.511 258 HB2 SER 40 HB2 SER 40 9.412 31.182 6.478 259 HB3 SER 40 HB3 SER 40 10.116 32.491 7.426 260 HG SER 40 HG SER 40 8.858 31.834 9.181 261 H ARG 41 H ARG 41 8.024 35.229 6.033 262 HA ARG 41 HA ARG 41 8.633 34.511 3.240 263 HB2 ARG 41 HB2 ARG 41 7.205 37.018 4.110 264 HB3 ARG 41 HB3 ARG 41 7.303 36.329 2.495 265 HG2 ARG 41 HG2 ARG 41 5.880 34.498 3.136 266 HG3 ARG 41 HG3 ARG 41 5.873 35.047 4.813 267 HD2 ARG 41 HD2 ARG 41 4.670 36.419 2.418 268 HD3 ARG 41 HD3 ARG 41 3.824 35.747 3.812 269 HE ARG 41 HE ARG 41 5.421 37.609 4.928 270 HH11 ARG 41 HH11 ARG 41 3.192 37.701 2.256 271 HH12 ARG 41 HH12 ARG 41 2.782 39.368 2.486 272 HH21 ARG 41 HH21 ARG 41 4.890 39.805 5.241 273 HH22 ARG 41 HH22 ARG 41 3.749 40.564 4.183 274 H CYS 42 H CYS 42 10.539 35.170 2.517 275 HA CYS 42 HA CYS 42 12.394 36.604 3.999 276 HB2 CYS 42 HB2 CYS 42 12.608 35.161 1.793 277 HB3 CYS 42 HB3 CYS 42 12.504 36.736 1.016 278 HG CYS 42 HG CYS 42 14.877 37.629 1.660 279 H SER 43 H SER 43 13.427 38.702 3.333 280 HA SER 43 HA SER 43 11.731 40.831 3.710 281 HB2 SER 43 HB2 SER 43 13.908 41.466 4.045 282 HB3 SER 43 HB3 SER 43 14.502 40.547 2.662 283 HG SER 43 HG SER 43 14.589 42.485 1.814 284 H LYS 44 H LYS 44 12.639 39.268 0.710 285 HA LYS 44 HA LYS 44 11.855 41.134 -1.164 286 HB2 LYS 44 HB2 LYS 44 11.622 38.125 -1.206 287 HB3 LYS 44 HB3 LYS 44 11.286 39.132 -2.608 288 HG2 LYS 44 HG2 LYS 44 13.914 39.165 -1.150 289 HG3 LYS 44 HG3 LYS 44 13.574 38.112 -2.525 290 HD2 LYS 44 HD2 LYS 44 13.223 39.993 -3.963 291 HD3 LYS 44 HD3 LYS 44 13.296 41.113 -2.601 292 HE2 LYS 44 HE2 LYS 44 15.654 40.342 -2.222 293 HE3 LYS 44 HE3 LYS 44 15.539 39.453 -3.740 294 HZ1 LYS 44 HZ1 LYS 44 14.730 41.884 -4.494 295 HZ2 LYS 44 HZ2 LYS 44 15.834 42.297 -3.281 296 HZ3 LYS 44 HZ3 LYS 44 16.333 41.353 -4.594 297 H CYS 45 H CYS 45 9.885 39.126 0.895 298 HA CYS 45 HA CYS 45 7.450 39.168 -0.403 299 HB2 CYS 45 HB2 CYS 45 6.448 38.680 1.674 300 HB3 CYS 45 HB3 CYS 45 8.078 38.031 1.804 301 HG CYS 45 HG CYS 45 8.688 40.802 2.990 302 H ARG 46 H ARG 46 9.136 41.759 1.159 303 HA ARG 46 HA ARG 46 7.150 43.542 1.802 304 HB2 ARG 46 HB2 ARG 46 9.902 43.966 0.661 305 HB3 ARG 46 HB3 ARG 46 8.857 45.324 1.057 306 HG2 ARG 46 HG2 ARG 46 8.694 44.392 3.382 307 HG3 ARG 46 HG3 ARG 46 9.955 43.244 2.927 308 HD2 ARG 46 HD2 ARG 46 11.087 45.019 3.970 309 HD3 ARG 46 HD3 ARG 46 11.332 45.268 2.242 310 HE ARG 46 HE ARG 46 9.058 46.685 3.228 311 HH11 ARG 46 HH11 ARG 46 12.529 46.767 2.974 312 HH12 ARG 46 HH12 ARG 46 12.624 48.495 3.058 313 HH21 ARG 46 HH21 ARG 46 9.170 48.960 3.339 314 HH22 ARG 46 HH22 ARG 46 10.714 49.741 3.266 315 H LYS 47 H LYS 47 8.393 42.722 -1.378 316 HA LYS 47 HA LYS 47 6.876 44.789 -2.705 317 HB2 LYS 47 HB2 LYS 47 9.121 43.828 -3.475 318 HB3 LYS 47 HB3 LYS 47 8.207 42.429 -4.024 319 HG2 LYS 47 HG2 LYS 47 7.182 43.589 -5.717 320 HG3 LYS 47 HG3 LYS 47 7.365 45.146 -4.907 321 HD2 LYS 47 HD2 LYS 47 8.978 45.383 -6.498 322 HD3 LYS 47 HD3 LYS 47 9.940 44.586 -5.252 323 HE2 LYS 47 HE2 LYS 47 10.392 43.484 -7.314 324 HE3 LYS 47 HE3 LYS 47 9.388 42.403 -6.348 325 HZ1 LYS 47 HZ1 LYS 47 8.608 42.443 -8.607 326 HZ2 LYS 47 HZ2 LYS 47 7.453 43.183 -7.615 327 HZ3 LYS 47 HZ3 LYS 47 8.469 44.129 -8.583 328 H GLN 48 H GLN 48 6.574 41.357 -2.055 329 HA GLN 48 HA GLN 48 4.276 41.037 -3.768 330 HB2 GLN 48 HB2 GLN 48 6.112 39.287 -2.884 331 HB3 GLN 48 HB3 GLN 48 4.868 39.027 -1.669 332 HG2 GLN 48 HG2 GLN 48 4.602 37.445 -3.457 333 HG3 GLN 48 HG3 GLN 48 3.245 38.570 -3.454 334 HE21 GLN 48 HE21 GLN 48 2.879 39.821 -5.205 335 HE22 GLN 48 HE22 GLN 48 3.822 39.769 -6.651 336 H SER 49 H SER 49 4.673 42.572 -0.924 337 HA SER 49 HA SER 49 2.692 41.652 0.787 338 HB2 SER 49 HB2 SER 49 4.448 43.609 1.015 339 HB3 SER 49 HB3 SER 49 3.095 44.601 0.470 340 HG SER 49 HG SER 49 3.156 44.432 2.746 341 H ASN 50 H ASN 50 2.438 43.646 -2.089 342 HA ASN 50 HA ASN 50 -0.116 44.662 -1.826 343 HB2 ASN 50 HB2 ASN 50 1.001 43.594 -4.421 344 HB3 ASN 50 HB3 ASN 50 -0.146 44.913 -4.204 345 HD21 ASN 50 HD21 ASN 50 2.580 44.693 -5.450 346 HD22 ASN 50 HD22 ASN 50 3.481 45.984 -4.740 347 H LEU 51 H LEU 51 0.903 41.429 -2.741 348 HA LEU 51 HA LEU 51 -1.754 40.423 -2.205 349 HB2 LEU 51 HB2 LEU 51 -0.607 40.585 -4.935 350 HB3 LEU 51 HB3 LEU 51 -1.459 39.104 -4.501 351 HG LEU 51 HG LEU 51 -2.652 41.872 -4.361 352 HD11 LEU 51 HD11 LEU 51 -3.253 39.745 -6.396 353 HD12 LEU 51 HD12 LEU 51 -3.754 41.436 -6.395 354 HD13 LEU 51 HD13 LEU 51 -2.064 41.017 -6.672 355 HD21 LEU 51 HD21 LEU 51 -4.480 40.950 -3.462 356 HD22 LEU 51 HD22 LEU 51 -4.400 39.539 -4.517 357 HD23 LEU 51 HD23 LEU 51 -3.427 39.597 -3.048 358 H TYR 52 H TYR 52 -1.525 38.618 -1.074 359 HA TYR 52 HA TYR 52 0.752 36.853 -1.654 360 HB2 TYR 52 HB2 TYR 52 1.304 36.597 0.630 361 HB3 TYR 52 HB3 TYR 52 1.106 38.331 0.398 362 HD1 TYR 52 HD1 TYR 52 -1.440 39.136 0.802 363 HD2 TYR 52 HD2 TYR 52 0.377 35.701 2.535 364 HE1 TYR 52 HE1 TYR 52 -3.084 39.196 2.631 365 HE2 TYR 52 HE2 TYR 52 -1.262 35.751 4.368 366 HH TYR 52 HH TYR 52 -4.067 37.658 4.274 367 H GLU 53 H GLU 53 0.434 34.697 -0.409 368 HA GLU 53 HA GLU 53 -2.303 33.909 0.026 369 HB2 GLU 53 HB2 GLU 53 -2.275 33.765 -2.383 370 HB3 GLU 53 HB3 GLU 53 -0.765 32.864 -2.355 371 HG2 GLU 53 HG2 GLU 53 -1.964 31.046 -1.136 372 HG3 GLU 53 HG3 GLU 53 -3.463 31.932 -1.410 373 H CYS 54 H CYS 54 -2.302 32.484 1.628 374 HA CYS 54 HA CYS 54 0.078 31.420 2.709 375 HB2 CYS 54 HB2 CYS 54 -1.968 31.879 4.034 376 HB3 CYS 54 HB3 CYS 54 -2.770 30.540 3.223 377 HG CYS 54 HG CYS 54 -2.160 29.576 5.705 378 HA PRO 55 HA PRO 55 0.405 28.014 -0.183 379 HB2 PRO 55 HB2 PRO 55 2.800 27.137 0.748 380 HB3 PRO 55 HB3 PRO 55 2.639 28.531 -0.327 381 HG2 PRO 55 HG2 PRO 55 2.981 28.462 2.646 382 HG3 PRO 55 HG3 PRO 55 3.758 29.521 1.454 383 HD2 PRO 55 HD2 PRO 55 1.658 30.322 2.964 384 HD3 PRO 55 HD3 PRO 55 1.928 30.915 1.312 385 H ASP 56 H ASP 56 0.118 28.001 3.213 386 HA ASP 56 HA ASP 56 0.319 25.147 3.559 387 HB2 ASP 56 HB2 ASP 56 0.568 27.247 5.270 388 HB3 ASP 56 HB3 ASP 56 -1.075 26.722 5.628 389 H CYS 57 H CYS 57 -2.353 27.494 3.856 390 HA CYS 57 HA CYS 57 -4.232 25.285 3.364 391 HB2 CYS 57 HB2 CYS 57 -5.942 26.743 4.393 392 HB3 CYS 57 HB3 CYS 57 -4.603 26.414 5.487 393 HG CYS 57 HG CYS 57 -4.267 29.227 3.693 394 H GLY 58 H GLY 58 -2.669 26.983 1.400 395 HA2 GLY 58 HA2 GLY 58 -3.026 28.158 -0.554 396 HA3 GLY 58 HA3 GLY 58 -4.378 27.047 -0.716 397 H PHE 59 H PHE 59 -3.954 29.619 1.676 398 HA PHE 59 HA PHE 59 -6.546 30.700 0.912 399 HB2 PHE 59 HB2 PHE 59 -6.226 30.413 3.270 400 HB3 PHE 59 HB3 PHE 59 -4.691 31.272 3.226 401 HD1 PHE 59 HD1 PHE 59 -8.083 32.062 1.890 402 HD2 PHE 59 HD2 PHE 59 -4.860 33.226 4.415 403 HE1 PHE 59 HE1 PHE 59 -9.252 34.165 2.407 404 HE2 PHE 59 HE2 PHE 59 -6.024 35.330 4.937 405 HZ PHE 59 HZ PHE 59 -8.223 35.801 3.933 406 H MET 60 H MET 60 -6.524 32.068 -0.755 407 HA MET 60 HA MET 60 -4.248 33.765 -1.287 408 HB2 MET 60 HB2 MET 60 -6.934 33.645 -2.670 409 HB3 MET 60 HB3 MET 60 -5.502 34.479 -3.260 410 HG2 MET 60 HG2 MET 60 -4.494 32.567 -3.940 411 HG3 MET 60 HG3 MET 60 -5.238 31.593 -2.674 412 HE1 MET 60 HE1 MET 60 -6.820 29.406 -4.374 413 HE2 MET 60 HE2 MET 60 -6.748 30.203 -2.802 414 HE3 MET 60 HE3 MET 60 -8.243 30.231 -3.738 415 H GLY 61 H GLY 61 -3.973 35.742 -0.493 416 HA2 GLY 61 HA2 GLY 61 -6.362 37.308 0.236 417 HA3 GLY 61 HA3 GLY 61 -5.023 37.153 1.363 418 HA PRO 62 HA PRO 62 -4.488 40.897 -1.448 419 HB2 PRO 62 HB2 PRO 62 -4.600 42.776 0.508 420 HB3 PRO 62 HB3 PRO 62 -6.031 42.203 -0.356 421 HG2 PRO 62 HG2 PRO 62 -4.998 41.402 2.337 422 HG3 PRO 62 HG3 PRO 62 -6.665 41.735 1.831 423 HD2 PRO 62 HD2 PRO 62 -5.697 39.220 2.091 424 HD3 PRO 62 HD3 PRO 62 -6.929 39.649 0.887 Start of MODEL 19 1 H1 GLY 1 H GLY 1 5.651 -3.495 0.043 2 HA2 GLY 1 HA2 GLY 1 4.530 -1.918 1.423 3 HA3 GLY 1 HA3 GLY 1 6.018 -1.697 2.332 4 H ALA 2 H ALA 2 4.756 0.538 1.670 5 HA ALA 2 HA ALA 2 6.450 1.654 -0.455 6 HB1 ALA 2 HB1 ALA 2 3.500 2.175 -0.110 7 HB2 ALA 2 HB2 ALA 2 4.562 3.067 -1.200 8 HB3 ALA 2 HB3 ALA 2 4.279 1.345 -1.457 9 H MET 3 H MET 3 6.990 3.860 -0.212 10 HA MET 3 HA MET 3 7.243 4.699 2.506 11 HB2 MET 3 HB2 MET 3 8.006 5.909 -0.138 12 HB3 MET 3 HB3 MET 3 8.182 6.816 1.358 13 HG2 MET 3 HG2 MET 3 10.268 5.906 1.137 14 HG3 MET 3 HG3 MET 3 9.479 4.708 2.159 15 HE1 MET 3 HE1 MET 3 11.369 5.022 -1.484 16 HE2 MET 3 HE2 MET 3 11.965 4.977 0.175 17 HE3 MET 3 HE3 MET 3 12.080 3.541 -0.842 18 H GLY 4 H GLY 4 6.364 6.537 3.505 19 HA2 GLY 4 HA2 GLY 4 3.726 7.263 2.472 20 HA3 GLY 4 HA3 GLY 4 4.312 7.538 4.106 21 H SER 5 H SER 5 5.399 8.460 0.834 22 HA SER 5 HA SER 5 6.586 10.859 1.517 23 HB2 SER 5 HB2 SER 5 6.422 11.470 -0.817 24 HB3 SER 5 HB3 SER 5 6.726 9.736 -0.717 25 HG SER 5 HG SER 5 4.942 10.636 -2.155 26 H GLU 6 H GLU 6 3.227 10.293 0.503 27 HA GLU 6 HA GLU 6 2.342 12.929 0.533 28 HB2 GLU 6 HB2 GLU 6 1.151 10.704 -0.173 29 HB3 GLU 6 HB3 GLU 6 0.558 10.719 1.482 30 HG2 GLU 6 HG2 GLU 6 -0.164 13.149 0.925 31 HG3 GLU 6 HG3 GLU 6 -0.013 12.616 -0.748 32 H SER 7 H SER 7 2.725 10.631 3.165 33 HA SER 7 HA SER 7 1.323 11.983 5.164 34 HB2 SER 7 HB2 SER 7 2.481 9.634 5.165 35 HB3 SER 7 HB3 SER 7 3.868 10.523 5.793 36 HG SER 7 HG SER 7 1.398 11.000 6.987 37 H GLU 8 H GLU 8 4.796 12.140 4.381 38 HA GLU 8 HA GLU 8 4.860 14.913 5.236 39 HB2 GLU 8 HB2 GLU 8 6.375 12.719 6.630 40 HB3 GLU 8 HB3 GLU 8 6.956 14.379 6.635 41 HG2 GLU 8 HG2 GLU 8 5.782 14.324 8.591 42 HG3 GLU 8 HG3 GLU 8 4.546 14.914 7.481 43 H GLN 9 H GLN 9 6.755 16.039 4.544 44 HA GLN 9 HA GLN 9 8.619 14.619 2.821 45 HB2 GLN 9 HB2 GLN 9 6.996 16.940 1.769 46 HB3 GLN 9 HB3 GLN 9 8.222 16.032 0.893 47 HG2 GLN 9 HG2 GLN 9 6.795 14.011 1.115 48 HG3 GLN 9 HG3 GLN 9 5.546 15.029 1.828 49 HE21 GLN 9 HE21 GLN 9 6.994 13.922 -1.041 50 HE22 GLN 9 HE22 GLN 9 6.048 14.844 -2.155 51 H ARG 10 H ARG 10 10.412 16.015 2.101 52 HA ARG 10 HA ARG 10 11.452 17.525 4.239 53 HB2 ARG 10 HB2 ARG 10 12.288 16.990 1.422 54 HB3 ARG 10 HB3 ARG 10 13.091 18.281 2.306 55 HG2 ARG 10 HG2 ARG 10 14.460 16.476 2.714 56 HG3 ARG 10 HG3 ARG 10 13.420 16.482 4.140 57 HD2 ARG 10 HD2 ARG 10 12.667 14.875 1.733 58 HD3 ARG 10 HD3 ARG 10 13.864 14.255 2.870 59 HE ARG 10 HE ARG 10 11.575 15.107 4.274 60 HH11 ARG 10 HH11 ARG 10 12.658 12.580 2.138 61 HH12 ARG 10 HH12 ARG 10 11.548 11.402 2.756 62 HH21 ARG 10 HH21 ARG 10 10.108 13.566 5.096 63 HH22 ARG 10 HH22 ARG 10 10.097 11.964 4.438 64 H HIS 11 H HIS 11 11.621 19.695 4.598 65 HA HIS 11 HA HIS 11 10.992 21.688 2.684 66 HB2 HIS 11 HB2 HIS 11 8.933 22.539 3.937 67 HB3 HIS 11 HB3 HIS 11 8.710 21.123 2.915 68 HD1 HIS 11 HD1 HIS 11 6.911 19.876 4.105 69 HD2 HIS 11 HD2 HIS 11 9.946 21.090 6.670 70 HE1 HIS 11 HE1 HIS 11 6.384 18.811 6.322 71 H ALA 12 H ALA 12 10.382 23.839 4.083 72 HA ALA 12 HA ALA 12 11.453 24.098 6.661 73 HB1 ALA 12 HB1 ALA 12 13.638 23.877 6.185 74 HB2 ALA 12 HB2 ALA 12 13.402 24.194 4.467 75 HB3 ALA 12 HB3 ALA 12 13.495 25.536 5.607 76 H HIS 13 H HIS 13 12.041 26.500 7.110 77 HA HIS 13 HA HIS 13 9.819 28.067 6.280 78 HB2 HIS 13 HB2 HIS 13 12.181 28.471 8.048 79 HB3 HIS 13 HB3 HIS 13 11.346 29.907 7.464 80 HD1 HIS 13 HD1 HIS 13 10.889 30.102 10.157 81 HD2 HIS 13 HD2 HIS 13 8.818 27.158 8.081 82 HE1 HIS 13 HE1 HIS 13 8.958 29.466 11.638 83 H GLN 14 H GLN 14 9.710 28.722 4.216 84 HA GLN 14 HA GLN 14 12.027 30.179 3.131 85 HB2 GLN 14 HB2 GLN 14 10.381 28.028 1.925 86 HB3 GLN 14 HB3 GLN 14 10.819 29.365 0.870 87 HG2 GLN 14 HG2 GLN 14 13.023 28.830 0.866 88 HG3 GLN 14 HG3 GLN 14 12.976 28.151 2.492 89 HE21 GLN 14 HE21 GLN 14 14.242 26.964 0.270 90 HE22 GLN 14 HE22 GLN 14 13.440 25.470 -0.066 91 H CYS 15 H CYS 15 11.363 31.664 1.293 92 HA CYS 15 HA CYS 15 9.377 33.454 2.252 93 HB2 CYS 15 HB2 CYS 15 11.467 34.067 0.952 94 HB3 CYS 15 HB3 CYS 15 10.640 33.490 -0.490 95 HG CYS 15 HG CYS 15 8.873 35.720 1.270 96 H VAL 16 H VAL 16 7.306 33.773 1.642 97 HA VAL 16 HA VAL 16 5.926 31.688 0.300 98 HB VAL 16 HB VAL 16 3.930 33.011 0.580 99 HG11 VAL 16 HG11 VAL 16 5.815 33.190 2.924 100 HG12 VAL 16 HG12 VAL 16 4.083 33.510 3.027 101 HG13 VAL 16 HG13 VAL 16 4.658 31.907 2.568 102 HG21 VAL 16 HG21 VAL 16 5.814 35.277 1.217 103 HG22 VAL 16 HG22 VAL 16 4.686 35.169 -0.135 104 HG23 VAL 16 HG23 VAL 16 4.076 35.321 1.513 105 H SER 17 H SER 17 7.327 34.690 -0.731 106 HA SER 17 HA SER 17 5.867 34.849 -3.201 107 HB2 SER 17 HB2 SER 17 6.644 36.923 -2.342 108 HB3 SER 17 HB3 SER 17 8.280 36.304 -2.119 109 HG SER 17 HG SER 17 7.246 36.240 -4.700 110 H CYS 18 H CYS 18 9.329 34.325 -2.506 111 HA CYS 18 HA CYS 18 9.503 32.792 -5.012 112 HB2 CYS 18 HB2 CYS 18 11.599 34.336 -3.481 113 HB3 CYS 18 HB3 CYS 18 11.982 33.255 -4.816 114 HG CYS 18 HG CYS 18 10.016 34.856 -6.429 115 H GLY 19 H GLY 19 11.550 32.865 -2.105 116 HA2 GLY 19 HA2 GLY 19 10.945 30.655 -0.742 117 HA3 GLY 19 HA3 GLY 19 11.695 29.959 -2.170 118 H ILE 20 H ILE 20 12.603 32.961 -0.548 119 HA ILE 20 HA ILE 20 15.343 32.431 -0.596 120 HB ILE 20 HB ILE 20 13.832 34.245 1.288 121 HG12 ILE 20 HG12 ILE 20 15.048 35.856 -0.535 122 HG13 ILE 20 HG13 ILE 20 14.680 34.454 -1.533 123 HG21 ILE 20 HG21 ILE 20 16.028 35.444 1.427 124 HG22 ILE 20 HG22 ILE 20 15.998 33.858 2.198 125 HG23 ILE 20 HG23 ILE 20 16.761 34.057 0.621 126 HD11 ILE 20 HD11 ILE 20 12.421 34.751 -1.354 127 HD12 ILE 20 HD12 ILE 20 12.542 35.592 0.192 128 HD13 ILE 20 HD13 ILE 20 12.983 36.422 -1.301 129 H ASN 21 H ASN 21 16.797 31.665 0.910 130 HA ASN 21 HA ASN 21 15.771 29.735 2.772 131 HB2 ASN 21 HB2 ASN 21 18.164 29.281 3.245 132 HB3 ASN 21 HB3 ASN 21 17.794 29.231 1.524 133 HD21 ASN 21 HD21 ASN 21 19.862 30.415 3.830 134 HD22 ASN 21 HD22 ASN 21 20.621 31.660 2.903 135 H ILE 22 H ILE 22 14.631 31.782 3.790 136 HA ILE 22 HA ILE 22 16.354 33.025 5.803 137 HB ILE 22 HB ILE 22 14.347 34.423 6.315 138 HG12 ILE 22 HG12 ILE 22 13.189 33.235 3.792 139 HG13 ILE 22 HG13 ILE 22 12.724 32.698 5.402 140 HG21 ILE 22 HG21 ILE 22 14.579 34.978 3.491 141 HG22 ILE 22 HG22 ILE 22 15.175 35.899 4.872 142 HG23 ILE 22 HG23 ILE 22 16.146 34.589 4.200 143 HD11 ILE 22 HD11 ILE 22 12.563 35.580 5.088 144 HD12 ILE 22 HD12 ILE 22 11.536 34.700 3.957 145 HD13 ILE 22 HD13 ILE 22 11.367 34.432 5.692 146 H ALA 23 H ALA 23 15.745 30.241 6.045 147 HA ALA 23 HA ALA 23 13.640 29.827 7.917 148 HB1 ALA 23 HB1 ALA 23 14.601 27.601 8.206 149 HB2 ALA 23 HB2 ALA 23 14.477 28.026 6.498 150 HB3 ALA 23 HB3 ALA 23 16.039 28.101 7.314 151 H GLY 24 H GLY 24 13.626 30.580 9.929 152 HA2 GLY 24 HA2 GLY 24 14.306 31.029 12.079 153 HA3 GLY 24 HA3 GLY 24 15.696 29.997 11.780 154 H MET 25 H MET 25 15.255 32.587 9.583 155 HA MET 25 HA MET 25 17.476 34.025 10.871 156 HB2 MET 25 HB2 MET 25 16.607 34.085 7.976 157 HB3 MET 25 HB3 MET 25 18.002 34.913 8.654 158 HG2 MET 25 HG2 MET 25 17.697 31.935 8.802 159 HG3 MET 25 HG3 MET 25 18.411 32.738 7.405 160 HE1 MET 25 HE1 MET 25 21.275 33.656 7.603 161 HE2 MET 25 HE2 MET 25 19.940 34.774 7.887 162 HE3 MET 25 HE3 MET 25 21.298 34.717 9.011 163 H SER 26 H SER 26 17.384 36.439 9.699 164 HA SER 26 HA SER 26 15.189 37.691 11.050 165 HB2 SER 26 HB2 SER 26 17.230 38.966 9.215 166 HB3 SER 26 HB3 SER 26 16.222 39.785 10.409 167 HG SER 26 HG SER 26 18.037 39.489 11.514 168 H ALA 27 H ALA 27 13.228 37.942 10.234 169 HA ALA 27 HA ALA 27 12.677 39.120 7.754 170 HB1 ALA 27 HB1 ALA 27 12.370 37.461 6.274 171 HB2 ALA 27 HB2 ALA 27 13.431 36.542 7.342 172 HB3 ALA 27 HB3 ALA 27 11.680 36.376 7.481 173 H ALA 28 H ALA 28 10.277 38.839 7.162 174 HA ALA 28 HA ALA 28 8.718 39.544 9.384 175 HB1 ALA 28 HB1 ALA 28 6.810 39.440 7.860 176 HB2 ALA 28 HB2 ALA 28 8.182 40.259 7.115 177 HB3 ALA 28 HB3 ALA 28 7.801 38.595 6.671 178 H THR 29 H THR 29 8.167 38.241 10.998 179 HA THR 29 HA THR 29 7.503 35.437 10.392 180 HB THR 29 HB THR 29 7.783 35.901 13.210 181 HG1 THR 29 HG1 THR 29 9.732 36.833 13.335 182 HG21 THR 29 HG21 THR 29 9.309 34.292 11.167 183 HG22 THR 29 HG22 THR 29 9.632 34.217 12.899 184 HG23 THR 29 HG23 THR 29 8.058 33.726 12.273 185 H PHE 30 H PHE 30 5.386 35.104 10.264 186 HA PHE 30 HA PHE 30 3.665 36.009 12.417 187 HB2 PHE 30 HB2 PHE 30 2.034 37.075 10.977 188 HB3 PHE 30 HB3 PHE 30 3.597 37.854 10.752 189 HD1 PHE 30 HD1 PHE 30 5.037 36.931 8.779 190 HD2 PHE 30 HD2 PHE 30 0.825 36.426 9.130 191 HE1 PHE 30 HE1 PHE 30 4.885 36.539 6.354 192 HE2 PHE 30 HE2 PHE 30 0.666 36.032 6.707 193 HZ PHE 30 HZ PHE 30 2.698 36.088 5.315 194 H LYS 31 H LYS 31 1.848 34.741 12.699 195 HA LYS 31 HA LYS 31 1.896 32.199 11.282 196 HB2 LYS 31 HB2 LYS 31 0.887 31.285 13.112 197 HB3 LYS 31 HB3 LYS 31 1.611 32.688 13.887 198 HG2 LYS 31 HG2 LYS 31 -0.554 33.889 13.554 199 HG3 LYS 31 HG3 LYS 31 -1.244 32.363 12.997 200 HD2 LYS 31 HD2 LYS 31 -0.975 31.349 15.101 201 HD3 LYS 31 HD3 LYS 31 0.137 32.603 15.655 202 HE2 LYS 31 HE2 LYS 31 -2.101 32.807 16.665 203 HE3 LYS 31 HE3 LYS 31 -1.657 34.221 15.711 204 HZ1 LYS 31 HZ1 LYS 31 -3.982 33.350 15.397 205 HZ2 LYS 31 HZ2 LYS 31 -3.084 33.570 13.979 206 HZ3 LYS 31 HZ3 LYS 31 -3.300 32.016 14.612 207 H CYS 32 H CYS 32 0.276 31.415 10.009 208 HA CYS 32 HA CYS 32 -1.411 33.264 8.700 209 HB2 CYS 32 HB2 CYS 32 -0.496 31.111 7.738 210 HB3 CYS 32 HB3 CYS 32 -1.710 30.258 8.685 211 HG CYS 32 HG CYS 32 -2.697 30.304 6.130 212 HA PRO 33 HA PRO 33 -4.782 33.361 11.568 213 HB2 PRO 33 HB2 PRO 33 -6.546 34.657 9.963 214 HB3 PRO 33 HB3 PRO 33 -5.195 35.471 10.759 215 HG2 PRO 33 HG2 PRO 33 -5.418 34.489 7.940 216 HG3 PRO 33 HG3 PRO 33 -4.746 36.016 8.544 217 HD2 PRO 33 HD2 PRO 33 -3.189 33.918 7.834 218 HD3 PRO 33 HD3 PRO 33 -2.739 35.046 9.128 219 H ASP 34 H ASP 34 -4.595 31.545 8.756 220 HA ASP 34 HA ASP 34 -7.330 30.530 8.943 221 HB2 ASP 34 HB2 ASP 34 -5.813 31.037 6.761 222 HB3 ASP 34 HB3 ASP 34 -5.449 29.330 6.999 223 H CYS 35 H CYS 35 -3.978 29.383 9.134 224 HA CYS 35 HA CYS 35 -4.972 26.993 10.543 225 HB2 CYS 35 HB2 CYS 35 -2.775 25.943 9.730 226 HB3 CYS 35 HB3 CYS 35 -4.051 26.170 8.541 227 HG CYS 35 HG CYS 35 -1.963 26.871 7.053 228 H GLY 36 H GLY 36 -2.272 29.282 10.261 229 HA2 GLY 36 HA2 GLY 36 -1.423 30.357 12.255 230 HA3 GLY 36 HA3 GLY 36 -1.773 28.879 13.139 231 H GLN 37 H GLN 37 -0.323 28.673 10.001 232 HA GLN 37 HA GLN 37 2.012 27.417 11.142 233 HB2 GLN 37 HB2 GLN 37 1.221 27.949 8.275 234 HB3 GLN 37 HB3 GLN 37 2.651 27.048 8.761 235 HG2 GLN 37 HG2 GLN 37 0.025 26.166 9.821 236 HG3 GLN 37 HG3 GLN 37 0.387 25.853 8.124 237 HE21 GLN 37 HE21 GLN 37 -0.015 23.768 9.802 238 HE22 GLN 37 HE22 GLN 37 1.472 22.938 10.095 239 H GLU 38 H GLU 38 3.864 28.396 11.598 240 HA GLU 38 HA GLU 38 4.306 31.112 11.450 241 HB2 GLU 38 HB2 GLU 38 5.614 29.246 12.700 242 HB3 GLU 38 HB3 GLU 38 6.596 29.182 11.243 243 HG2 GLU 38 HG2 GLU 38 7.380 31.364 11.535 244 HG3 GLU 38 HG3 GLU 38 6.113 31.757 12.697 245 H ILE 39 H ILE 39 4.364 32.372 9.717 246 HA ILE 39 HA ILE 39 5.421 31.313 7.198 247 HB ILE 39 HB ILE 39 3.994 33.938 7.596 248 HG12 ILE 39 HG12 ILE 39 2.846 31.227 6.902 249 HG13 ILE 39 HG13 ILE 39 2.516 32.162 8.356 250 HG21 ILE 39 HG21 ILE 39 5.375 32.879 5.431 251 HG22 ILE 39 HG22 ILE 39 3.675 32.606 5.051 252 HG23 ILE 39 HG23 ILE 39 4.248 34.236 5.406 253 HD11 ILE 39 HD11 ILE 39 1.900 33.821 6.173 254 HD12 ILE 39 HD12 ILE 39 1.204 32.237 5.830 255 HD13 ILE 39 HD13 ILE 39 0.792 33.076 7.326 256 H SER 40 H SER 40 7.308 31.959 6.379 257 HA SER 40 HA SER 40 8.628 34.287 7.616 258 HB2 SER 40 HB2 SER 40 10.770 33.182 7.237 259 HB3 SER 40 HB3 SER 40 9.714 32.131 8.179 260 HG SER 40 HG SER 40 9.345 30.897 6.377 261 H ARG 41 H ARG 41 8.379 35.914 6.210 262 HA ARG 41 HA ARG 41 9.001 35.395 3.376 263 HB2 ARG 41 HB2 ARG 41 7.359 37.708 4.392 264 HB3 ARG 41 HB3 ARG 41 7.493 37.113 2.743 265 HG2 ARG 41 HG2 ARG 41 6.258 35.129 3.301 266 HG3 ARG 41 HG3 ARG 41 6.235 35.580 5.006 267 HD2 ARG 41 HD2 ARG 41 4.115 36.055 3.753 268 HD3 ARG 41 HD3 ARG 41 4.822 37.444 4.577 269 HE ARG 41 HE ARG 41 5.711 37.291 1.886 270 HH11 ARG 41 HH11 ARG 41 2.976 38.175 3.850 271 HH12 ARG 41 HH12 ARG 41 2.359 39.321 2.707 272 HH21 ARG 41 HH21 ARG 41 4.909 38.798 0.372 273 HH22 ARG 41 HH22 ARG 41 3.459 39.674 0.728 274 H CYS 42 H CYS 42 10.851 36.232 2.698 275 HA CYS 42 HA CYS 42 12.561 37.794 4.227 276 HB2 CYS 42 HB2 CYS 42 12.908 36.436 1.979 277 HB3 CYS 42 HB3 CYS 42 12.669 38.020 1.250 278 HG CYS 42 HG CYS 42 14.873 38.038 3.762 279 H SER 43 H SER 43 13.397 39.995 3.608 280 HA SER 43 HA SER 43 11.509 41.947 4.036 281 HB2 SER 43 HB2 SER 43 13.294 43.490 2.906 282 HB3 SER 43 HB3 SER 43 13.700 42.646 4.401 283 HG SER 43 HG SER 43 14.922 42.493 2.057 284 H LYS 44 H LYS 44 12.569 40.561 0.998 285 HA LYS 44 HA LYS 44 11.608 42.391 -0.828 286 HB2 LYS 44 HB2 LYS 44 11.570 39.372 -1.001 287 HB3 LYS 44 HB3 LYS 44 11.313 40.453 -2.365 288 HG2 LYS 44 HG2 LYS 44 13.816 40.434 -0.696 289 HG3 LYS 44 HG3 LYS 44 13.615 39.512 -2.187 290 HD2 LYS 44 HD2 LYS 44 13.424 41.469 -3.490 291 HD3 LYS 44 HD3 LYS 44 13.174 42.485 -2.068 292 HE2 LYS 44 HE2 LYS 44 15.426 42.759 -2.979 293 HE3 LYS 44 HE3 LYS 44 15.468 42.072 -1.356 294 HZ1 LYS 44 HZ1 LYS 44 15.575 40.380 -3.781 295 HZ2 LYS 44 HZ2 LYS 44 16.971 41.024 -3.074 296 HZ3 LYS 44 HZ3 LYS 44 15.989 39.963 -2.194 297 H CYS 45 H CYS 45 9.840 40.149 1.173 298 HA CYS 45 HA CYS 45 7.412 40.003 -0.142 299 HB2 CYS 45 HB2 CYS 45 6.468 39.314 1.898 300 HB3 CYS 45 HB3 CYS 45 8.160 38.848 2.027 301 HG CYS 45 HG CYS 45 6.657 40.179 4.335 302 H ARG 46 H ARG 46 8.857 42.682 1.495 303 HA ARG 46 HA ARG 46 6.728 44.242 2.240 304 HB2 ARG 46 HB2 ARG 46 9.374 45.004 1.016 305 HB3 ARG 46 HB3 ARG 46 8.219 46.208 1.571 306 HG2 ARG 46 HG2 ARG 46 8.389 45.462 3.817 307 HG3 ARG 46 HG3 ARG 46 9.300 44.029 3.335 308 HD2 ARG 46 HD2 ARG 46 10.827 45.631 4.260 309 HD3 ARG 46 HD3 ARG 46 11.110 45.522 2.523 310 HE ARG 46 HE ARG 46 9.296 47.607 3.041 311 HH11 ARG 46 HH11 ARG 46 12.655 46.794 3.456 312 HH12 ARG 46 HH12 ARG 46 13.195 48.439 3.398 313 HH21 ARG 46 HH21 ARG 46 9.994 49.777 2.963 314 HH22 ARG 46 HH22 ARG 46 11.681 50.135 3.119 315 H LYS 47 H LYS 47 7.943 43.626 -0.991 316 HA LYS 47 HA LYS 47 6.222 45.592 -2.220 317 HB2 LYS 47 HB2 LYS 47 7.909 43.404 -3.449 318 HB3 LYS 47 HB3 LYS 47 7.085 44.674 -4.345 319 HG2 LYS 47 HG2 LYS 47 8.513 46.168 -2.622 320 HG3 LYS 47 HG3 LYS 47 9.575 44.767 -2.781 321 HD2 LYS 47 HD2 LYS 47 8.420 45.974 -5.248 322 HD3 LYS 47 HD3 LYS 47 9.748 46.810 -4.438 323 HE2 LYS 47 HE2 LYS 47 10.965 45.470 -5.815 324 HE3 LYS 47 HE3 LYS 47 10.783 44.364 -4.454 325 HZ1 LYS 47 HZ1 LYS 47 8.731 43.538 -5.660 326 HZ2 LYS 47 HZ2 LYS 47 9.305 44.371 -7.016 327 HZ3 LYS 47 HZ3 LYS 47 10.225 43.124 -6.337 328 H GLN 48 H GLN 48 6.228 42.125 -1.673 329 HA GLN 48 HA GLN 48 3.896 41.675 -3.313 330 HB2 GLN 48 HB2 GLN 48 5.803 40.029 -1.798 331 HB3 GLN 48 HB3 GLN 48 4.154 39.419 -1.789 332 HG2 GLN 48 HG2 GLN 48 4.388 39.926 -4.393 333 HG3 GLN 48 HG3 GLN 48 6.086 39.640 -4.012 334 HE21 GLN 48 HE21 GLN 48 5.387 37.883 -5.646 335 HE22 GLN 48 HE22 GLN 48 4.918 36.375 -4.946 336 H SER 49 H SER 49 4.277 43.138 -0.433 337 HA SER 49 HA SER 49 2.473 41.994 1.330 338 HB2 SER 49 HB2 SER 49 4.015 44.001 1.706 339 HB3 SER 49 HB3 SER 49 2.744 44.978 0.971 340 HG SER 49 HG SER 49 2.672 44.794 3.319 341 H ASN 50 H ASN 50 1.889 43.957 -1.507 342 HA ASN 50 HA ASN 50 -0.726 44.751 -1.118 343 HB2 ASN 50 HB2 ASN 50 0.479 45.532 -3.038 344 HB3 ASN 50 HB3 ASN 50 0.683 43.893 -3.649 345 HD21 ASN 50 HD21 ASN 50 -2.173 45.515 -2.340 346 HD22 ASN 50 HD22 ASN 50 -3.140 45.337 -3.760 347 H LEU 51 H LEU 51 0.521 41.603 -2.036 348 HA LEU 51 HA LEU 51 -2.000 40.377 -1.351 349 HB2 LEU 51 HB2 LEU 51 -2.258 41.033 -3.739 350 HB3 LEU 51 HB3 LEU 51 -0.884 39.999 -4.125 351 HG LEU 51 HG LEU 51 -2.431 38.186 -2.926 352 HD11 LEU 51 HD11 LEU 51 -4.687 38.533 -3.067 353 HD12 LEU 51 HD12 LEU 51 -4.142 40.165 -2.678 354 HD13 LEU 51 HD13 LEU 51 -4.536 39.740 -4.344 355 HD21 LEU 51 HD21 LEU 51 -2.507 37.277 -4.972 356 HD22 LEU 51 HD22 LEU 51 -3.328 38.674 -5.668 357 HD23 LEU 51 HD23 LEU 51 -1.575 38.690 -5.469 358 H TYR 52 H TYR 52 -1.474 38.687 -0.150 359 HA TYR 52 HA TYR 52 0.959 37.172 -0.838 360 HB2 TYR 52 HB2 TYR 52 1.487 36.889 1.439 361 HB3 TYR 52 HB3 TYR 52 1.021 38.581 1.306 362 HD1 TYR 52 HD1 TYR 52 -1.549 39.042 1.762 363 HD2 TYR 52 HD2 TYR 52 0.586 35.637 3.158 364 HE1 TYR 52 HE1 TYR 52 -3.226 38.724 3.533 365 HE2 TYR 52 HE2 TYR 52 -1.086 35.309 4.932 366 HH TYR 52 HH TYR 52 -2.875 36.162 5.957 367 H GLU 53 H GLU 53 0.891 34.929 0.280 368 HA GLU 53 HA GLU 53 -1.729 33.767 0.575 369 HB2 GLU 53 HB2 GLU 53 -1.671 33.723 -1.812 370 HB3 GLU 53 HB3 GLU 53 -0.014 33.136 -1.824 371 HG2 GLU 53 HG2 GLU 53 -0.772 31.024 -0.828 372 HG3 GLU 53 HG3 GLU 53 -2.433 31.613 -0.881 373 H CYS 54 H CYS 54 -1.642 32.102 1.951 374 HA CYS 54 HA CYS 54 0.853 31.341 3.102 375 HB2 CYS 54 HB2 CYS 54 -1.265 31.471 4.391 376 HB3 CYS 54 HB3 CYS 54 -1.875 30.091 3.486 377 HG CYS 54 HG CYS 54 -1.221 28.984 5.861 378 HA PRO 55 HA PRO 55 1.661 28.176 0.041 379 HB2 PRO 55 HB2 PRO 55 4.105 27.509 1.019 380 HB3 PRO 55 HB3 PRO 55 3.827 28.943 0.024 381 HG2 PRO 55 HG2 PRO 55 4.068 28.720 2.999 382 HG3 PRO 55 HG3 PRO 55 4.764 29.932 1.908 383 HD2 PRO 55 HD2 PRO 55 2.534 30.398 3.372 384 HD3 PRO 55 HD3 PRO 55 2.795 31.123 1.773 385 H ASP 56 H ASP 56 1.276 27.911 3.421 386 HA ASP 56 HA ASP 56 1.772 25.077 3.592 387 HB2 ASP 56 HB2 ASP 56 1.775 27.052 5.443 388 HB3 ASP 56 HB3 ASP 56 0.163 26.390 5.700 389 H CYS 57 H CYS 57 -1.151 27.081 4.016 390 HA CYS 57 HA CYS 57 -2.767 24.730 3.315 391 HB2 CYS 57 HB2 CYS 57 -4.644 25.915 4.368 392 HB3 CYS 57 HB3 CYS 57 -3.293 25.740 5.481 393 HG CYS 57 HG CYS 57 -4.918 28.380 5.028 394 H GLY 58 H GLY 58 -1.335 26.711 1.502 395 HA2 GLY 58 HA2 GLY 58 -1.763 27.948 -0.400 396 HA3 GLY 58 HA3 GLY 58 -2.953 26.686 -0.682 397 H PHE 59 H PHE 59 -2.889 29.233 1.788 398 HA PHE 59 HA PHE 59 -5.582 30.011 0.958 399 HB2 PHE 59 HB2 PHE 59 -5.374 29.579 3.309 400 HB3 PHE 59 HB3 PHE 59 -3.961 30.622 3.432 401 HD1 PHE 59 HD1 PHE 59 -7.579 30.701 2.575 402 HD2 PHE 59 HD2 PHE 59 -4.211 32.829 4.075 403 HE1 PHE 59 HE1 PHE 59 -9.037 32.598 3.149 404 HE2 PHE 59 HE2 PHE 59 -5.664 34.729 4.652 405 HZ PHE 59 HZ PHE 59 -8.080 34.615 4.188 406 H MET 60 H MET 60 -5.612 31.491 -0.611 407 HA MET 60 HA MET 60 -3.529 33.483 -0.845 408 HB2 MET 60 HB2 MET 60 -5.022 32.223 -2.696 409 HB3 MET 60 HB3 MET 60 -5.980 33.685 -2.502 410 HG2 MET 60 HG2 MET 60 -3.286 34.486 -2.709 411 HG3 MET 60 HG3 MET 60 -3.574 33.291 -3.972 412 HE1 MET 60 HE1 MET 60 -5.392 34.756 -6.572 413 HE2 MET 60 HE2 MET 60 -5.029 33.298 -5.648 414 HE3 MET 60 HE3 MET 60 -6.594 34.090 -5.468 415 H GLY 61 H GLY 61 -3.678 35.631 -0.392 416 HA2 GLY 61 HA2 GLY 61 -6.243 36.799 0.330 417 HA3 GLY 61 HA3 GLY 61 -5.070 36.675 1.633 418 HA PRO 62 HA PRO 62 -4.514 40.675 -0.777 419 HB2 PRO 62 HB2 PRO 62 -5.009 42.351 1.301 420 HB3 PRO 62 HB3 PRO 62 -6.278 41.753 0.225 421 HG2 PRO 62 HG2 PRO 62 -5.492 40.786 2.947 422 HG3 PRO 62 HG3 PRO 62 -7.113 41.037 2.274 423 HD2 PRO 62 HD2 PRO 62 -5.966 38.590 2.438 424 HD3 PRO 62 HD3 PRO 62 -7.087 39.034 1.135 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.896 21.595 5.831 2 HA2 GLY 1 HA2 GLY 1 2.360 21.168 3.530 3 HA3 GLY 1 HA3 GLY 1 3.274 22.604 3.092 4 H ALA 2 H ALA 2 3.952 19.641 4.961 5 HA ALA 2 HA ALA 2 6.616 19.512 3.838 6 HB1 ALA 2 HB1 ALA 2 5.142 17.880 5.881 7 HB2 ALA 2 HB2 ALA 2 6.721 17.397 5.263 8 HB3 ALA 2 HB3 ALA 2 6.537 18.934 6.107 9 H MET 3 H MET 3 6.936 18.674 1.888 10 HA MET 3 HA MET 3 5.085 17.110 0.476 11 HB2 MET 3 HB2 MET 3 8.069 17.308 0.029 12 HB3 MET 3 HB3 MET 3 6.882 16.750 -1.142 13 HG2 MET 3 HG2 MET 3 6.963 19.519 0.032 14 HG3 MET 3 HG3 MET 3 7.640 19.063 -1.529 15 HE1 MET 3 HE1 MET 3 6.206 21.285 -1.799 16 HE2 MET 3 HE2 MET 3 5.965 20.515 -3.368 17 HE3 MET 3 HE3 MET 3 4.590 21.201 -2.502 18 H GLY 4 H GLY 4 4.982 14.915 0.016 19 HA2 GLY 4 HA2 GLY 4 5.256 12.658 0.355 20 HA3 GLY 4 HA3 GLY 4 6.869 13.014 0.955 21 H SER 5 H SER 5 3.802 11.924 1.766 22 HA SER 5 HA SER 5 3.904 12.699 4.554 23 HB2 SER 5 HB2 SER 5 2.021 10.628 3.473 24 HB3 SER 5 HB3 SER 5 1.756 11.817 4.749 25 HG SER 5 HG SER 5 1.229 13.272 3.300 26 H GLU 6 H GLU 6 4.317 9.754 2.635 27 HA GLU 6 HA GLU 6 4.727 8.019 4.836 28 HB2 GLU 6 HB2 GLU 6 5.646 6.455 3.155 29 HB3 GLU 6 HB3 GLU 6 4.098 7.134 2.672 30 HG2 GLU 6 HG2 GLU 6 5.166 7.419 0.716 31 HG3 GLU 6 HG3 GLU 6 5.724 8.898 1.496 32 H SER 7 H SER 7 6.888 9.963 2.851 33 HA SER 7 HA SER 7 9.243 8.928 4.198 34 HB2 SER 7 HB2 SER 7 8.697 10.474 1.774 35 HB3 SER 7 HB3 SER 7 10.079 11.084 2.684 36 HG SER 7 HG SER 7 11.129 9.224 2.377 37 H GLU 8 H GLU 8 7.350 11.903 4.057 38 HA GLU 8 HA GLU 8 7.201 13.674 5.479 39 HB2 GLU 8 HB2 GLU 8 8.961 12.172 7.408 40 HB3 GLU 8 HB3 GLU 8 7.755 13.399 7.769 41 HG2 GLU 8 HG2 GLU 8 5.975 11.894 7.171 42 HG3 GLU 8 HG3 GLU 8 7.137 10.674 6.654 43 H GLN 9 H GLN 9 8.272 15.582 5.677 44 HA GLN 9 HA GLN 9 11.175 15.636 5.719 45 HB2 GLN 9 HB2 GLN 9 9.587 16.879 3.467 46 HB3 GLN 9 HB3 GLN 9 11.304 17.133 3.751 47 HG2 GLN 9 HG2 GLN 9 10.017 14.481 3.140 48 HG3 GLN 9 HG3 GLN 9 10.869 15.498 1.979 49 HE21 GLN 9 HE21 GLN 9 11.458 12.784 2.796 50 HE22 GLN 9 HE22 GLN 9 13.062 12.803 3.439 51 H ARG 10 H ARG 10 11.691 17.059 7.230 52 HA ARG 10 HA ARG 10 10.003 19.455 7.542 53 HB2 ARG 10 HB2 ARG 10 11.587 18.134 9.746 54 HB3 ARG 10 HB3 ARG 10 10.393 19.416 9.903 55 HG2 ARG 10 HG2 ARG 10 9.865 16.563 9.101 56 HG3 ARG 10 HG3 ARG 10 9.459 17.322 10.641 57 HD2 ARG 10 HD2 ARG 10 8.125 18.996 9.185 58 HD3 ARG 10 HD3 ARG 10 8.243 17.754 7.939 59 HE ARG 10 HE ARG 10 6.683 16.528 9.074 60 HH11 ARG 10 HH11 ARG 10 7.990 18.948 11.208 61 HH12 ARG 10 HH12 ARG 10 6.865 18.618 12.484 62 HH21 ARG 10 HH21 ARG 10 5.195 16.085 10.745 63 HH22 ARG 10 HH22 ARG 10 5.276 16.989 12.220 64 H HIS 11 H HIS 11 11.489 20.968 9.192 65 HA HIS 11 HA HIS 11 13.169 22.503 9.200 66 HB2 HIS 11 HB2 HIS 11 14.704 20.054 8.328 67 HB3 HIS 11 HB3 HIS 11 15.479 21.592 8.695 68 HD1 HIS 11 HD1 HIS 11 16.674 21.039 10.820 69 HD2 HIS 11 HD2 HIS 11 12.682 19.891 10.903 70 HE1 HIS 11 HE1 HIS 11 16.238 20.296 13.182 71 H ALA 12 H ALA 12 11.641 22.998 7.148 72 HA ALA 12 HA ALA 12 13.458 24.010 5.155 73 HB1 ALA 12 HB1 ALA 12 13.047 22.642 3.438 74 HB2 ALA 12 HB2 ALA 12 12.423 21.517 4.644 75 HB3 ALA 12 HB3 ALA 12 11.318 22.588 3.782 76 H HIS 13 H HIS 13 12.793 26.069 5.355 77 HA HIS 13 HA HIS 13 9.928 26.616 4.933 78 HB2 HIS 13 HB2 HIS 13 11.795 28.379 6.519 79 HB3 HIS 13 HB3 HIS 13 10.039 28.478 6.421 80 HD1 HIS 13 HD1 HIS 13 8.694 27.032 8.008 81 HD2 HIS 13 HD2 HIS 13 12.771 26.246 8.144 82 HE1 HIS 13 HE1 HIS 13 9.023 25.533 10.000 83 H GLN 14 H GLN 14 9.767 27.268 2.879 84 HA GLN 14 HA GLN 14 11.800 29.103 1.815 85 HB2 GLN 14 HB2 GLN 14 10.035 27.046 0.607 86 HB3 GLN 14 HB3 GLN 14 10.358 28.478 -0.362 87 HG2 GLN 14 HG2 GLN 14 12.600 28.011 -0.555 88 HG3 GLN 14 HG3 GLN 14 12.631 27.030 0.909 89 HE21 GLN 14 HE21 GLN 14 13.559 26.473 -1.835 90 HE22 GLN 14 HE22 GLN 14 12.767 25.010 -2.301 91 H CYS 15 H CYS 15 10.934 30.753 0.234 92 HA CYS 15 HA CYS 15 9.000 32.365 1.570 93 HB2 CYS 15 HB2 CYS 15 10.986 33.198 0.228 94 HB3 CYS 15 HB3 CYS 15 10.073 32.790 -1.219 95 HG CYS 15 HG CYS 15 8.391 34.725 0.930 96 H VAL 16 H VAL 16 6.898 32.781 1.076 97 HA VAL 16 HA VAL 16 5.457 30.818 -0.392 98 HB VAL 16 HB VAL 16 3.471 32.062 0.151 99 HG11 VAL 16 HG11 VAL 16 3.523 31.756 2.417 100 HG12 VAL 16 HG12 VAL 16 4.987 30.884 1.961 101 HG13 VAL 16 HG13 VAL 16 5.099 32.526 2.597 102 HG21 VAL 16 HG21 VAL 16 3.756 34.274 1.401 103 HG22 VAL 16 HG22 VAL 16 5.389 34.298 0.736 104 HG23 VAL 16 HG23 VAL 16 3.997 34.293 -0.346 105 H SER 17 H SER 17 6.760 33.942 -1.161 106 HA SER 17 HA SER 17 5.166 34.336 -3.520 107 HB2 SER 17 HB2 SER 17 5.980 36.303 -2.417 108 HB3 SER 17 HB3 SER 17 7.642 35.717 -2.470 109 HG SER 17 HG SER 17 6.034 36.438 -4.697 110 H CYS 18 H CYS 18 8.669 33.821 -3.063 111 HA CYS 18 HA CYS 18 8.740 32.582 -5.731 112 HB2 CYS 18 HB2 CYS 18 10.152 34.554 -5.567 113 HB3 CYS 18 HB3 CYS 18 10.942 33.904 -4.136 114 HG CYS 18 HG CYS 18 11.889 33.630 -7.196 115 H GLY 19 H GLY 19 10.916 32.364 -2.926 116 HA2 GLY 19 HA2 GLY 19 10.417 30.006 -1.796 117 HA3 GLY 19 HA3 GLY 19 11.093 29.485 -3.332 118 H ILE 20 H ILE 20 12.060 32.298 -1.428 119 HA ILE 20 HA ILE 20 14.798 31.832 -1.687 120 HB ILE 20 HB ILE 20 13.373 33.373 0.486 121 HG12 ILE 20 HG12 ILE 20 14.484 35.204 -1.210 122 HG13 ILE 20 HG13 ILE 20 14.025 33.929 -2.333 123 HG21 ILE 20 HG21 ILE 20 15.638 34.616 0.467 124 HG22 ILE 20 HG22 ILE 20 15.517 33.078 1.321 125 HG23 ILE 20 HG23 ILE 20 16.257 33.143 -0.279 126 HD11 ILE 20 HD11 ILE 20 11.789 34.208 -1.945 127 HD12 ILE 20 HD12 ILE 20 12.039 34.866 -0.328 128 HD13 ILE 20 HD13 ILE 20 12.372 35.860 -1.746 129 H ASN 21 H ASN 21 16.343 30.905 -0.382 130 HA ASN 21 HA ASN 21 15.454 28.747 1.287 131 HB2 ASN 21 HB2 ASN 21 18.261 29.767 0.790 132 HB3 ASN 21 HB3 ASN 21 17.834 28.222 1.520 133 HD21 ASN 21 HD21 ASN 21 19.435 27.990 -0.506 134 HD22 ASN 21 HD22 ASN 21 18.625 27.474 -1.943 135 H ILE 22 H ILE 22 14.309 30.363 2.740 136 HA ILE 22 HA ILE 22 16.128 31.526 4.730 137 HB ILE 22 HB ILE 22 14.062 32.667 5.590 138 HG12 ILE 22 HG12 ILE 22 12.853 31.700 2.992 139 HG13 ILE 22 HG13 ILE 22 12.461 31.036 4.575 140 HG21 ILE 22 HG21 ILE 22 14.041 33.707 2.918 141 HG22 ILE 22 HG22 ILE 22 14.762 34.388 4.377 142 HG23 ILE 22 HG23 ILE 22 15.684 33.262 3.381 143 HD11 ILE 22 HD11 ILE 22 11.025 32.940 3.394 144 HD12 ILE 22 HD12 ILE 22 11.181 32.802 5.145 145 HD13 ILE 22 HD13 ILE 22 12.178 33.956 4.259 146 H ALA 23 H ALA 23 15.723 28.697 4.635 147 HA ALA 23 HA ALA 23 13.816 27.854 6.560 148 HB1 ALA 23 HB1 ALA 23 15.117 26.502 4.741 149 HB2 ALA 23 HB2 ALA 23 16.301 26.290 6.031 150 HB3 ALA 23 HB3 ALA 23 14.644 25.730 6.254 151 H GLY 24 H GLY 24 13.855 28.354 8.648 152 HA2 GLY 24 HA2 GLY 24 14.620 28.609 10.801 153 HA3 GLY 24 HA3 GLY 24 16.080 27.766 10.306 154 H MET 25 H MET 25 15.265 30.543 8.476 155 HA MET 25 HA MET 25 17.473 31.998 9.750 156 HB2 MET 25 HB2 MET 25 16.198 32.337 7.030 157 HB3 MET 25 HB3 MET 25 17.501 33.340 7.655 158 HG2 MET 25 HG2 MET 25 18.789 31.138 7.929 159 HG3 MET 25 HG3 MET 25 17.566 30.459 6.857 160 HE1 MET 25 HE1 MET 25 21.283 32.607 5.680 161 HE2 MET 25 HE2 MET 25 20.480 33.179 7.142 162 HE3 MET 25 HE3 MET 25 20.928 31.481 6.989 163 H SER 26 H SER 26 17.106 34.534 9.236 164 HA SER 26 HA SER 26 14.741 35.214 10.791 165 HB2 SER 26 HB2 SER 26 17.154 36.822 9.934 166 HB3 SER 26 HB3 SER 26 15.798 37.508 10.828 167 HG SER 26 HG SER 26 17.550 35.441 11.662 168 H ALA 27 H ALA 27 12.936 35.988 9.931 169 HA ALA 27 HA ALA 27 12.847 37.810 7.772 170 HB1 ALA 27 HB1 ALA 27 12.477 36.566 5.943 171 HB2 ALA 27 HB2 ALA 27 13.255 35.277 6.861 172 HB3 ALA 27 HB3 ALA 27 11.495 35.392 6.818 173 H ALA 28 H ALA 28 10.428 37.786 6.846 174 HA ALA 28 HA ALA 28 8.772 38.333 9.095 175 HB1 ALA 28 HB1 ALA 28 7.277 38.125 6.647 176 HB2 ALA 28 HB2 ALA 28 7.648 39.551 7.617 177 HB3 ALA 28 HB3 ALA 28 8.782 39.006 6.381 178 H THR 29 H THR 29 7.933 36.766 10.306 179 HA THR 29 HA THR 29 6.738 34.440 8.943 180 HB THR 29 HB THR 29 7.782 34.338 11.765 181 HG1 THR 29 HG1 THR 29 9.203 33.553 9.422 182 HG21 THR 29 HG21 THR 29 7.548 32.090 9.787 183 HG22 THR 29 HG22 THR 29 7.618 32.013 11.547 184 HG23 THR 29 HG23 THR 29 6.165 32.613 10.748 185 H PHE 30 H PHE 30 4.728 33.770 9.593 186 HA PHE 30 HA PHE 30 3.458 34.914 11.921 187 HB2 PHE 30 HB2 PHE 30 1.503 35.745 10.490 188 HB3 PHE 30 HB3 PHE 30 2.961 36.731 10.500 189 HD1 PHE 30 HD1 PHE 30 4.461 36.744 8.550 190 HD2 PHE 30 HD2 PHE 30 0.742 34.673 8.508 191 HE1 PHE 30 HE1 PHE 30 4.554 36.634 6.094 192 HE2 PHE 30 HE2 PHE 30 0.830 34.559 6.052 193 HZ PHE 30 HZ PHE 30 2.738 35.539 4.842 194 H LYS 31 H LYS 31 1.001 34.219 11.849 195 HA LYS 31 HA LYS 31 0.972 31.392 11.025 196 HB2 LYS 31 HB2 LYS 31 0.854 31.613 13.423 197 HB3 LYS 31 HB3 LYS 31 -0.444 32.794 13.296 198 HG2 LYS 31 HG2 LYS 31 -1.880 31.032 12.304 199 HG3 LYS 31 HG3 LYS 31 -0.587 29.868 12.604 200 HD2 LYS 31 HD2 LYS 31 -1.747 31.570 14.794 201 HD3 LYS 31 HD3 LYS 31 -2.451 30.016 14.340 202 HE2 LYS 31 HE2 LYS 31 0.473 30.151 14.880 203 HE3 LYS 31 HE3 LYS 31 -0.636 30.211 16.249 204 HZ1 LYS 31 HZ1 LYS 31 0.201 27.971 14.800 205 HZ2 LYS 31 HZ2 LYS 31 -0.864 28.028 16.113 206 HZ3 LYS 31 HZ3 LYS 31 -1.460 28.157 14.534 207 H CYS 32 H CYS 32 -0.419 30.811 9.497 208 HA CYS 32 HA CYS 32 -2.151 32.662 8.250 209 HB2 CYS 32 HB2 CYS 32 -1.075 30.627 7.189 210 HB3 CYS 32 HB3 CYS 32 -2.297 29.656 8.002 211 HG CYS 32 HG CYS 32 -4.011 29.852 6.115 212 HA PRO 33 HA PRO 33 -5.593 32.350 11.034 213 HB2 PRO 33 HB2 PRO 33 -7.320 33.829 9.550 214 HB3 PRO 33 HB3 PRO 33 -6.014 34.545 10.502 215 HG2 PRO 33 HG2 PRO 33 -6.115 33.952 7.569 216 HG3 PRO 33 HG3 PRO 33 -5.494 35.391 8.399 217 HD2 PRO 33 HD2 PRO 33 -3.873 33.429 7.473 218 HD3 PRO 33 HD3 PRO 33 -3.492 34.377 8.925 219 H ASP 34 H ASP 34 -5.306 30.996 7.958 220 HA ASP 34 HA ASP 34 -8.018 29.949 7.857 221 HB2 ASP 34 HB2 ASP 34 -6.443 30.681 5.856 222 HB3 ASP 34 HB3 ASP 34 -5.876 29.019 5.996 223 H CYS 35 H CYS 35 -4.722 28.587 7.924 224 HA CYS 35 HA CYS 35 -5.854 26.108 9.027 225 HB2 CYS 35 HB2 CYS 35 -3.565 25.163 8.398 226 HB3 CYS 35 HB3 CYS 35 -4.637 25.592 7.070 227 HG CYS 35 HG CYS 35 -1.895 26.244 6.545 228 H GLY 36 H GLY 36 -3.190 28.418 9.447 229 HA2 GLY 36 HA2 GLY 36 -2.625 29.217 11.649 230 HA3 GLY 36 HA3 GLY 36 -3.119 27.658 12.293 231 H GLN 37 H GLN 37 -1.288 27.532 9.411 232 HA GLN 37 HA GLN 37 0.905 26.289 10.827 233 HB2 GLN 37 HB2 GLN 37 1.639 25.505 8.743 234 HB3 GLN 37 HB3 GLN 37 -0.115 25.494 8.612 235 HG2 GLN 37 HG2 GLN 37 0.144 26.617 6.719 236 HG3 GLN 37 HG3 GLN 37 0.581 28.005 7.713 237 HE21 GLN 37 HE21 GLN 37 2.073 25.054 6.420 238 HE22 GLN 37 HE22 GLN 37 3.556 25.805 5.952 239 H GLU 38 H GLU 38 3.086 26.938 10.708 240 HA GLU 38 HA GLU 38 3.468 29.764 10.843 241 HB2 GLU 38 HB2 GLU 38 4.698 28.023 12.209 242 HB3 GLU 38 HB3 GLU 38 5.621 27.651 10.759 243 HG2 GLU 38 HG2 GLU 38 6.651 29.754 10.739 244 HG3 GLU 38 HG3 GLU 38 5.485 30.429 11.876 245 H ILE 39 H ILE 39 3.589 31.018 9.108 246 HA ILE 39 HA ILE 39 4.629 29.937 6.600 247 HB ILE 39 HB ILE 39 3.367 32.637 7.075 248 HG12 ILE 39 HG12 ILE 39 2.104 30.056 6.124 249 HG13 ILE 39 HG13 ILE 39 1.789 30.859 7.658 250 HG21 ILE 39 HG21 ILE 39 3.595 31.117 4.492 251 HG22 ILE 39 HG22 ILE 39 3.187 32.816 4.733 252 HG23 ILE 39 HG23 ILE 39 4.830 32.252 5.038 253 HD11 ILE 39 HD11 ILE 39 0.457 31.205 5.216 254 HD12 ILE 39 HD12 ILE 39 0.208 32.083 6.725 255 HD13 ILE 39 HD13 ILE 39 1.343 32.698 5.524 256 H SER 40 H SER 40 6.500 30.565 5.684 257 HA SER 40 HA SER 40 8.060 32.636 7.085 258 HB2 SER 40 HB2 SER 40 8.912 30.047 5.803 259 HB3 SER 40 HB3 SER 40 10.062 31.355 6.079 260 HG SER 40 HG SER 40 9.577 31.242 8.289 261 H ARG 41 H ARG 41 8.404 34.416 5.949 262 HA ARG 41 HA ARG 41 8.673 34.207 3.028 263 HB2 ARG 41 HB2 ARG 41 7.123 36.340 4.509 264 HB3 ARG 41 HB3 ARG 41 7.412 36.303 2.775 265 HG2 ARG 41 HG2 ARG 41 6.128 34.242 2.592 266 HG3 ARG 41 HG3 ARG 41 5.857 34.251 4.335 267 HD2 ARG 41 HD2 ARG 41 3.910 35.126 3.205 268 HD3 ARG 41 HD3 ARG 41 4.697 36.414 4.115 269 HE ARG 41 HE ARG 41 5.617 36.358 1.432 270 HH11 ARG 41 HH11 ARG 41 2.906 37.299 3.403 271 HH12 ARG 41 HH12 ARG 41 2.382 38.544 2.318 272 HH21 ARG 41 HH21 ARG 41 4.938 37.994 -0.004 273 HH22 ARG 41 HH22 ARG 41 3.539 38.938 0.379 274 H CYS 42 H CYS 42 10.451 35.148 2.263 275 HA CYS 42 HA CYS 42 12.367 36.324 3.952 276 HB2 CYS 42 HB2 CYS 42 12.598 35.187 1.596 277 HB3 CYS 42 HB3 CYS 42 12.377 36.827 0.999 278 HG CYS 42 HG CYS 42 14.623 36.962 3.352 279 H SER 43 H SER 43 13.324 38.508 3.639 280 HA SER 43 HA SER 43 11.562 40.523 4.277 281 HB2 SER 43 HB2 SER 43 14.147 41.029 2.802 282 HB3 SER 43 HB3 SER 43 13.363 42.056 4.002 283 HG SER 43 HG SER 43 14.939 39.798 4.345 284 H LYS 44 H LYS 44 12.632 39.469 1.106 285 HA LYS 44 HA LYS 44 11.815 41.578 -0.479 286 HB2 LYS 44 HB2 LYS 44 11.660 38.615 -1.063 287 HB3 LYS 44 HB3 LYS 44 11.491 39.880 -2.274 288 HG2 LYS 44 HG2 LYS 44 13.935 39.626 -0.550 289 HG3 LYS 44 HG3 LYS 44 13.757 38.767 -2.082 290 HD2 LYS 44 HD2 LYS 44 13.820 40.709 -3.330 291 HD3 LYS 44 HD3 LYS 44 13.279 41.714 -1.983 292 HE2 LYS 44 HE2 LYS 44 15.916 40.318 -1.828 293 HE3 LYS 44 HE3 LYS 44 15.767 41.798 -2.774 294 HZ1 LYS 44 HZ1 LYS 44 14.948 41.583 0.069 295 HZ2 LYS 44 HZ2 LYS 44 16.471 42.129 -0.426 296 HZ3 LYS 44 HZ3 LYS 44 15.081 42.992 -0.858 297 H CYS 45 H CYS 45 9.893 39.183 1.163 298 HA CYS 45 HA CYS 45 7.505 39.314 -0.225 299 HB2 CYS 45 HB2 CYS 45 6.481 38.383 1.661 300 HB3 CYS 45 HB3 CYS 45 8.159 37.877 1.821 301 HG CYS 45 HG CYS 45 6.772 40.525 3.490 302 H ARG 46 H ARG 46 9.007 41.695 1.777 303 HA ARG 46 HA ARG 46 6.923 43.243 2.663 304 HB2 ARG 46 HB2 ARG 46 9.649 43.998 1.636 305 HB3 ARG 46 HB3 ARG 46 8.528 45.212 2.237 306 HG2 ARG 46 HG2 ARG 46 8.505 44.210 4.409 307 HG3 ARG 46 HG3 ARG 46 9.446 42.832 3.833 308 HD2 ARG 46 HD2 ARG 46 10.897 44.334 5.029 309 HD3 ARG 46 HD3 ARG 46 11.308 44.377 3.315 310 HE ARG 46 HE ARG 46 10.767 46.590 3.300 311 HH11 ARG 46 HH11 ARG 46 9.248 45.095 6.052 312 HH12 ARG 46 HH12 ARG 46 8.646 46.586 6.695 313 HH21 ARG 46 HH21 ARG 46 9.980 48.561 4.136 314 HH22 ARG 46 HH22 ARG 46 9.062 48.558 5.604 315 H LYS 47 H LYS 47 8.205 42.987 -0.591 316 HA LYS 47 HA LYS 47 6.596 45.164 -1.597 317 HB2 LYS 47 HB2 LYS 47 8.394 43.133 -2.915 318 HB3 LYS 47 HB3 LYS 47 7.443 44.289 -3.839 319 HG2 LYS 47 HG2 LYS 47 8.592 46.069 -2.371 320 HG3 LYS 47 HG3 LYS 47 9.747 44.788 -2.000 321 HD2 LYS 47 HD2 LYS 47 9.018 45.519 -4.824 322 HD3 LYS 47 HD3 LYS 47 10.311 46.339 -3.946 323 HE2 LYS 47 HE2 LYS 47 10.221 43.348 -4.182 324 HE3 LYS 47 HE3 LYS 47 10.933 44.349 -5.446 325 HZ1 LYS 47 HZ1 LYS 47 11.855 43.902 -2.693 326 HZ2 LYS 47 HZ2 LYS 47 12.739 43.897 -4.135 327 HZ3 LYS 47 HZ3 LYS 47 12.233 45.363 -3.458 328 H GLN 48 H GLN 48 6.464 41.657 -1.509 329 HA GLN 48 HA GLN 48 4.173 41.509 -3.254 330 HB2 GLN 48 HB2 GLN 48 5.621 39.468 -1.572 331 HB3 GLN 48 HB3 GLN 48 4.176 39.081 -2.496 332 HG2 GLN 48 HG2 GLN 48 5.834 38.439 -3.939 333 HG3 GLN 48 HG3 GLN 48 5.504 40.080 -4.491 334 HE21 GLN 48 HE21 GLN 48 7.149 41.444 -4.630 335 HE22 GLN 48 HE22 GLN 48 8.720 41.199 -3.955 336 H SER 49 H SER 49 4.512 42.579 -0.197 337 HA SER 49 HA SER 49 2.588 41.299 1.338 338 HB2 SER 49 HB2 SER 49 4.214 43.140 2.044 339 HB3 SER 49 HB3 SER 49 3.035 44.283 1.404 340 HG SER 49 HG SER 49 3.025 42.962 3.754 341 H ASN 50 H ASN 50 2.219 43.672 -1.210 342 HA ASN 50 HA ASN 50 -0.367 44.545 -0.796 343 HB2 ASN 50 HB2 ASN 50 1.399 45.102 -2.670 344 HB3 ASN 50 HB3 ASN 50 0.513 43.881 -3.578 345 HD21 ASN 50 HD21 ASN 50 -0.270 46.596 -1.425 346 HD22 ASN 50 HD22 ASN 50 -1.479 47.279 -2.452 347 H LEU 51 H LEU 51 0.759 41.492 -2.100 348 HA LEU 51 HA LEU 51 -1.866 40.343 -1.718 349 HB2 LEU 51 HB2 LEU 51 -1.611 41.369 -4.110 350 HB3 LEU 51 HB3 LEU 51 -0.650 39.923 -4.413 351 HG LEU 51 HG LEU 51 -2.963 39.671 -5.177 352 HD11 LEU 51 HD11 LEU 51 -1.660 37.724 -4.387 353 HD12 LEU 51 HD12 LEU 51 -2.374 37.930 -2.788 354 HD13 LEU 51 HD13 LEU 51 -3.399 37.530 -4.166 355 HD21 LEU 51 HD21 LEU 51 -4.639 40.507 -3.989 356 HD22 LEU 51 HD22 LEU 51 -4.329 39.308 -2.734 357 HD23 LEU 51 HD23 LEU 51 -3.543 40.885 -2.660 358 H TYR 52 H TYR 52 -1.458 38.551 -0.623 359 HA TYR 52 HA TYR 52 0.849 36.904 -1.428 360 HB2 TYR 52 HB2 TYR 52 1.380 36.424 0.819 361 HB3 TYR 52 HB3 TYR 52 1.085 38.159 0.789 362 HD1 TYR 52 HD1 TYR 52 -1.438 38.831 1.305 363 HD2 TYR 52 HD2 TYR 52 0.406 35.190 2.507 364 HE1 TYR 52 HE1 TYR 52 -3.110 38.581 3.092 365 HE2 TYR 52 HE2 TYR 52 -1.261 34.929 4.297 366 HH TYR 52 HH TYR 52 -3.292 37.419 5.293 367 H GLU 53 H GLU 53 0.603 34.611 -0.428 368 HA GLU 53 HA GLU 53 -2.105 33.664 -0.159 369 HB2 GLU 53 HB2 GLU 53 -2.084 33.740 -2.541 370 HB3 GLU 53 HB3 GLU 53 -0.475 33.036 -2.616 371 HG2 GLU 53 HG2 GLU 53 -1.376 30.931 -1.721 372 HG3 GLU 53 HG3 GLU 53 -2.989 31.643 -1.724 373 H CYS 54 H CYS 54 -2.111 32.009 1.214 374 HA CYS 54 HA CYS 54 0.294 30.959 2.276 375 HB2 CYS 54 HB2 CYS 54 -1.825 31.162 3.558 376 HB3 CYS 54 HB3 CYS 54 -2.516 29.878 2.573 377 HG CYS 54 HG CYS 54 0.345 28.905 3.915 378 HA PRO 55 HA PRO 55 0.901 27.934 -0.970 379 HB2 PRO 55 HB2 PRO 55 3.293 27.053 -0.036 380 HB3 PRO 55 HB3 PRO 55 3.113 28.557 -0.945 381 HG2 PRO 55 HG2 PRO 55 3.331 28.147 2.012 382 HG3 PRO 55 HG3 PRO 55 4.108 29.372 0.992 383 HD2 PRO 55 HD2 PRO 55 1.909 29.898 2.483 384 HD3 PRO 55 HD3 PRO 55 2.222 30.695 0.928 385 H ASP 56 H ASP 56 0.486 27.501 2.388 386 HA ASP 56 HA ASP 56 0.796 24.635 2.394 387 HB2 ASP 56 HB2 ASP 56 1.177 26.180 4.387 388 HB3 ASP 56 HB3 ASP 56 -0.576 26.295 4.506 389 H CYS 57 H CYS 57 -1.986 26.811 2.910 390 HA CYS 57 HA CYS 57 -3.756 24.612 2.094 391 HB2 CYS 57 HB2 CYS 57 -5.555 25.886 3.194 392 HB3 CYS 57 HB3 CYS 57 -4.235 25.536 4.303 393 HG CYS 57 HG CYS 57 -4.414 27.969 5.159 394 H GLY 58 H GLY 58 -2.180 26.591 0.392 395 HA2 GLY 58 HA2 GLY 58 -2.515 27.954 -1.442 396 HA3 GLY 58 HA3 GLY 58 -3.771 26.778 -1.801 397 H PHE 59 H PHE 59 -3.603 29.172 0.812 398 HA PHE 59 HA PHE 59 -6.230 30.153 -0.011 399 HB2 PHE 59 HB2 PHE 59 -6.105 29.575 2.309 400 HB3 PHE 59 HB3 PHE 59 -4.626 30.505 2.523 401 HD1 PHE 59 HD1 PHE 59 -8.036 31.173 1.150 402 HD2 PHE 59 HD2 PHE 59 -4.909 32.401 3.763 403 HE1 PHE 59 HE1 PHE 59 -9.368 33.129 1.819 404 HE2 PHE 59 HE2 PHE 59 -6.237 34.360 4.438 405 HZ PHE 59 HZ PHE 59 -8.469 34.727 3.464 406 H MET 60 H MET 60 -6.278 31.828 -1.348 407 HA MET 60 HA MET 60 -4.029 33.632 -1.568 408 HB2 MET 60 HB2 MET 60 -6.611 33.284 -3.058 409 HB3 MET 60 HB3 MET 60 -5.642 34.734 -3.284 410 HG2 MET 60 HG2 MET 60 -3.715 33.238 -3.858 411 HG3 MET 60 HG3 MET 60 -4.853 31.892 -3.852 412 HE1 MET 60 HE1 MET 60 -7.568 33.479 -5.662 413 HE2 MET 60 HE2 MET 60 -7.021 32.193 -6.737 414 HE3 MET 60 HE3 MET 60 -6.994 31.953 -4.990 415 H GLY 61 H GLY 61 -3.854 35.597 -0.678 416 HA2 GLY 61 HA2 GLY 61 -6.275 36.925 0.323 417 HA3 GLY 61 HA3 GLY 61 -4.952 36.628 1.441 418 HA PRO 62 HA PRO 62 -4.469 40.749 -0.822 419 HB2 PRO 62 HB2 PRO 62 -4.796 42.357 1.341 420 HB3 PRO 62 HB3 PRO 62 -6.140 41.843 0.314 421 HG2 PRO 62 HG2 PRO 62 -5.245 40.747 2.952 422 HG3 PRO 62 HG3 PRO 62 -6.890 41.076 2.377 423 HD2 PRO 62 HD2 PRO 62 -5.820 38.588 2.388 424 HD3 PRO 62 HD3 PRO 62 -6.992 39.118 1.164
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