NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
609956 | 5k5g | 30099 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 10 H GLN 10 15.097 -12.062 0.394 2 HA GLN 10 HA GLN 10 15.890 -9.471 -0.778 3 HB2 GLN 10 HB2 GLN 10 13.578 -11.297 -1.355 4 HB3 GLN 10 HB3 GLN 10 13.410 -9.568 -1.553 5 HG2 GLN 10 HG2 GLN 10 13.908 -10.351 -3.675 6 HG3 GLN 10 HG3 GLN 10 15.428 -9.697 -3.080 7 HE21 GLN 10 HE21 GLN 10 14.893 -11.659 -5.170 8 HE22 GLN 10 HE22 GLN 10 15.781 -13.078 -4.737 9 H ARG 11 H ARG 11 13.942 -7.987 -0.402 10 HA ARG 11 HA ARG 11 12.706 -8.373 2.208 11 HB2 ARG 11 HB2 ARG 11 13.258 -6.114 2.897 12 HB3 ARG 11 HB3 ARG 11 14.737 -6.994 2.511 13 HG2 ARG 11 HG2 ARG 11 14.856 -5.940 0.361 14 HG3 ARG 11 HG3 ARG 11 13.310 -5.150 0.666 15 HD2 ARG 11 HD2 ARG 11 15.220 -3.630 1.016 16 HD3 ARG 11 HD3 ARG 11 14.292 -3.884 2.493 17 HE ARG 11 HE ARG 11 16.049 -5.428 3.204 18 HH11 ARG 11 HH11 ARG 11 16.825 -3.239 0.578 19 HH12 ARG 11 HH12 ARG 11 18.523 -3.249 0.913 20 HH21 ARG 11 HH21 ARG 11 18.294 -5.443 3.630 21 HH22 ARG 11 HH22 ARG 11 19.356 -4.496 2.639 22 H LEU 12 H LEU 12 10.645 -7.609 2.280 23 HA LEU 12 HA LEU 12 9.644 -6.178 -0.042 24 HB2 LEU 12 HB2 LEU 12 8.415 -8.643 1.199 25 HB3 LEU 12 HB3 LEU 12 7.563 -7.600 0.082 26 HG LEU 12 HG LEU 12 8.245 -9.398 -1.228 27 HD11 LEU 12 HD11 LEU 12 10.377 -7.306 -1.555 28 HD12 LEU 12 HD12 LEU 12 8.768 -7.281 -2.280 29 HD13 LEU 12 HD13 LEU 12 9.932 -8.521 -2.754 30 HD21 LEU 12 HD21 LEU 12 9.735 -10.487 0.337 31 HD22 LEU 12 HD22 LEU 12 10.959 -9.244 0.076 32 HD23 LEU 12 HD23 LEU 12 10.517 -10.335 -1.237 33 H ALA 13 H ALA 13 7.417 -5.335 0.334 34 HA ALA 13 HA ALA 13 7.216 -4.461 3.122 35 HB1 ALA 13 HB1 ALA 13 6.323 -2.387 2.410 36 HB2 ALA 13 HB2 ALA 13 6.193 -2.945 0.738 37 HB3 ALA 13 HB3 ALA 13 7.780 -2.692 1.465 38 H ASN 14 H ASN 14 5.698 -5.339 4.139 39 HA ASN 14 HA ASN 14 3.382 -6.574 3.043 40 HB2 ASN 14 HB2 ASN 14 4.720 -6.825 5.341 41 HB3 ASN 14 HB3 ASN 14 3.561 -5.638 5.874 42 HD21 ASN 14 HD21 ASN 14 4.076 -8.355 6.584 43 HD22 ASN 14 HD22 ASN 14 2.566 -9.142 6.436 44 H PHE 15 H PHE 15 1.308 -5.669 2.864 45 HA PHE 15 HA PHE 15 1.297 -2.747 3.155 46 HB2 PHE 15 HB2 PHE 15 0.984 -3.723 0.843 47 HB3 PHE 15 HB3 PHE 15 -0.546 -4.389 1.410 48 HD1 PHE 15 HD1 PHE 15 1.252 -1.363 0.455 49 HD2 PHE 15 HD2 PHE 15 -2.431 -2.932 1.909 50 HE1 PHE 15 HE1 PHE 15 0.141 0.768 -0.064 51 HE2 PHE 15 HE2 PHE 15 -3.543 -0.802 1.393 52 HZ PHE 15 HZ PHE 15 -2.259 1.051 0.403 53 H LEU 16 H LEU 16 0.332 -2.135 4.937 54 HA LEU 16 HA LEU 16 -2.069 -3.594 5.781 55 HB2 LEU 16 HB2 LEU 16 -1.607 -3.198 8.027 56 HB3 LEU 16 HB3 LEU 16 -0.045 -3.626 7.350 57 HG LEU 16 HG LEU 16 -1.004 -0.873 8.134 58 HD11 LEU 16 HD11 LEU 16 -0.306 -2.222 9.999 59 HD12 LEU 16 HD12 LEU 16 0.944 -1.016 9.675 60 HD13 LEU 16 HD13 LEU 16 1.175 -2.693 9.160 61 HD21 LEU 16 HD21 LEU 16 0.264 -0.655 6.123 62 HD22 LEU 16 HD22 LEU 16 1.550 -1.676 6.772 63 HD23 LEU 16 HD23 LEU 16 1.230 -0.095 7.489 64 H VAL 17 H VAL 17 -3.679 -2.277 6.837 65 HA VAL 17 HA VAL 17 -3.602 0.544 6.234 66 HB VAL 17 HB VAL 17 -4.416 -0.136 4.157 67 HG11 VAL 17 HG11 VAL 17 -4.870 -2.478 4.787 68 HG12 VAL 17 HG12 VAL 17 -6.098 -1.762 3.744 69 HG13 VAL 17 HG13 VAL 17 -6.405 -1.941 5.471 70 HG21 VAL 17 HG21 VAL 17 -6.757 0.605 4.122 71 HG22 VAL 17 HG22 VAL 17 -5.731 1.648 5.108 72 HG23 VAL 17 HG23 VAL 17 -6.788 0.467 5.880 73 H HIS 18 H HIS 18 -4.463 1.636 7.792 74 HA HIS 18 HA HIS 18 -6.197 0.457 9.767 75 HB2 HIS 18 HB2 HIS 18 -4.569 2.237 10.343 76 HB3 HIS 18 HB3 HIS 18 -5.444 3.359 9.303 77 HD1 HIS 18 HD1 HIS 18 -7.120 4.752 10.453 78 HD2 HIS 18 HD2 HIS 18 -6.293 1.270 12.562 79 HE1 HIS 18 HE1 HIS 18 -8.437 4.927 12.587 80 HE2 HIS 18 HE2 HIS 18 -7.751 2.908 13.929 81 H SER 19 H SER 19 -8.246 0.070 9.301 82 HA SER 19 HA SER 19 -9.324 0.286 6.848 83 HB2 SER 19 HB2 SER 19 -10.875 0.189 9.430 84 HB3 SER 19 HB3 SER 19 -11.500 -0.257 7.844 85 HG SER 19 HG SER 19 -9.159 -1.468 8.850 86 H SER 20 H SER 20 -9.580 2.893 9.230 87 HA SER 20 HA SER 20 -12.017 3.891 8.179 88 HB2 SER 20 HB2 SER 20 -10.001 5.361 9.878 89 HB3 SER 20 HB3 SER 20 -11.714 5.736 9.703 90 HG SER 20 HG SER 20 -11.921 3.398 10.476 91 H ASN 21 H ASN 21 -8.668 5.266 7.917 92 HA ASN 21 HA ASN 21 -9.606 6.514 5.430 93 HB2 ASN 21 HB2 ASN 21 -9.868 8.184 7.184 94 HB3 ASN 21 HB3 ASN 21 -8.177 8.003 7.632 95 HD21 ASN 21 HD21 ASN 21 -10.379 9.129 5.163 96 HD22 ASN 21 HD22 ASN 21 -9.255 10.180 4.371 97 H ASN 22 H ASN 22 -6.875 5.237 7.225 98 HA ASN 22 HA ASN 22 -5.114 6.230 5.090 99 HB2 ASN 22 HB2 ASN 22 -3.292 6.258 6.790 100 HB3 ASN 22 HB3 ASN 22 -4.600 7.385 7.116 101 HD21 ASN 22 HD21 ASN 22 -2.629 6.272 8.926 102 HD22 ASN 22 HD22 ASN 22 -3.514 5.456 10.169 103 H PHE 23 H PHE 23 -4.257 4.799 3.826 104 HA PHE 23 HA PHE 23 -3.711 2.088 4.739 105 HB2 PHE 23 HB2 PHE 23 -3.005 1.941 2.224 106 HB3 PHE 23 HB3 PHE 23 -4.709 1.949 2.640 107 HD1 PHE 23 HD1 PHE 23 -6.051 3.965 2.271 108 HD2 PHE 23 HD2 PHE 23 -1.993 3.749 0.963 109 HE1 PHE 23 HE1 PHE 23 -6.415 5.902 0.808 110 HE2 PHE 23 HE2 PHE 23 -2.363 5.690 -0.488 111 HZ PHE 23 HZ PHE 23 -4.572 6.768 -0.571 112 H GLY 24 H GLY 24 -1.582 1.232 4.768 113 HA2 GLY 24 HA2 GLY 24 0.551 3.166 4.164 114 HA3 GLY 24 HA3 GLY 24 0.458 2.499 5.786 115 H ALA 25 H ALA 25 2.601 1.745 5.381 116 HA ALA 25 HA ALA 25 2.592 -0.872 4.140 117 HB1 ALA 25 HB1 ALA 25 4.660 1.236 3.525 118 HB2 ALA 25 HB2 ALA 25 3.473 0.575 2.392 119 HB3 ALA 25 HB3 ALA 25 4.750 -0.459 3.036 120 H ILE 26 H ILE 26 4.530 -2.094 4.747 121 HA ILE 26 HA ILE 26 6.085 -1.200 6.983 122 HB ILE 26 HB ILE 26 4.089 -1.755 8.180 123 HG12 ILE 26 HG12 ILE 26 6.095 -3.993 8.490 124 HG13 ILE 26 HG13 ILE 26 6.287 -2.374 9.159 125 HG21 ILE 26 HG21 ILE 26 2.966 -3.834 8.084 126 HG22 ILE 26 HG22 ILE 26 4.237 -4.545 7.097 127 HG23 ILE 26 HG23 ILE 26 3.185 -3.304 6.415 128 HD11 ILE 26 HD11 ILE 26 5.460 -3.546 10.937 129 HD12 ILE 26 HD12 ILE 26 4.400 -4.530 9.930 130 HD13 ILE 26 HD13 ILE 26 3.997 -2.842 10.244 131 H LEU 27 H LEU 27 7.995 -2.393 7.024 132 HA LEU 27 HA LEU 27 8.267 -4.130 4.738 133 HB2 LEU 27 HB2 LEU 27 10.258 -2.978 6.655 134 HB3 LEU 27 HB3 LEU 27 10.697 -4.165 5.448 135 HG LEU 27 HG LEU 27 9.612 -1.400 4.933 136 HD11 LEU 27 HD11 LEU 27 11.754 -0.950 4.038 137 HD12 LEU 27 HD12 LEU 27 12.224 -2.657 4.184 138 HD13 LEU 27 HD13 LEU 27 11.988 -1.674 5.637 139 HD21 LEU 27 HD21 LEU 27 10.496 -3.442 2.900 140 HD22 LEU 27 HD22 LEU 27 9.820 -1.835 2.600 141 HD23 LEU 27 HD23 LEU 27 8.807 -3.105 3.283 142 H SER 28 H SER 28 9.278 -6.136 4.795 143 HA SER 28 HA SER 28 9.003 -7.643 7.261 144 HB2 SER 28 HB2 SER 28 7.279 -8.203 4.829 145 HB3 SER 28 HB3 SER 28 7.382 -9.222 6.257 146 HG SER 28 HG SER 28 6.873 -6.772 7.092 147 H SER 29 H SER 29 10.545 -9.080 7.367 148 HA SER 29 HA SER 29 11.514 -10.487 5.027 149 HB2 SER 29 HB2 SER 29 12.810 -8.268 5.304 150 HB3 SER 29 HB3 SER 29 13.511 -9.007 6.736 151 HG SER 29 HG SER 29 13.554 -10.389 4.281 152 H THR 30 H THR 30 12.167 -9.714 8.417 153 HA THR 30 HA THR 30 12.884 -12.430 9.054 154 HB THR 30 HB THR 30 12.732 -11.398 11.465 155 HG1 THR 30 HG1 THR 30 11.656 -9.467 10.717 156 HG21 THR 30 HG21 THR 30 15.006 -10.510 11.219 157 HG22 THR 30 HG22 THR 30 14.814 -10.502 9.466 158 HG23 THR 30 HG23 THR 30 14.817 -12.030 10.345 159 H GLY 13 H GLY 13 -12.510 3.181 16.398 160 HA2 GLY 13 HA2 GLY 13 -13.564 0.654 15.268 161 HA3 GLY 13 HA3 GLY 13 -14.104 2.271 14.836 162 H GLY 14 H GLY 14 -12.711 -0.005 13.364 163 HA2 GLY 14 HA2 GLY 14 -11.564 0.389 11.309 164 HA3 GLY 14 HA3 GLY 14 -10.753 1.756 12.057 165 H GLU 15 H GLU 15 -10.683 -1.613 11.442 166 HA GLU 15 HA GLU 15 -8.481 -2.153 13.244 167 HB2 GLU 15 HB2 GLU 15 -8.589 -4.418 12.302 168 HB3 GLU 15 HB3 GLU 15 -10.183 -3.873 12.809 169 HG2 GLU 15 HG2 GLU 15 -10.606 -3.226 10.425 170 HG3 GLU 15 HG3 GLU 15 -9.106 -4.043 10.013 171 H ILE 16 H ILE 16 -6.405 -3.000 12.408 172 HA ILE 16 HA ILE 16 -5.670 -1.653 9.899 173 HB ILE 16 HB ILE 16 -3.868 -2.627 12.119 174 HG12 ILE 16 HG12 ILE 16 -4.649 0.200 11.397 175 HG13 ILE 16 HG13 ILE 16 -5.399 -0.721 12.696 176 HG21 ILE 16 HG21 ILE 16 -2.134 -1.323 10.971 177 HG22 ILE 16 HG22 ILE 16 -3.277 -0.940 9.685 178 HG23 ILE 16 HG23 ILE 16 -2.762 -2.608 9.939 179 HD11 ILE 16 HD11 ILE 16 -2.490 -0.008 12.528 180 HD12 ILE 16 HD12 ILE 16 -3.290 -0.853 13.853 181 HD13 ILE 16 HD13 ILE 16 -3.701 0.826 13.500 182 H VAL 17 H VAL 17 -5.974 -3.066 8.296 183 HA VAL 17 HA VAL 17 -5.376 -5.878 8.765 184 HB VAL 17 HB VAL 17 -6.365 -6.064 6.351 185 HG11 VAL 17 HG11 VAL 17 -8.038 -5.432 8.785 186 HG12 VAL 17 HG12 VAL 17 -7.373 -7.009 8.354 187 HG13 VAL 17 HG13 VAL 17 -8.612 -6.266 7.342 188 HG21 VAL 17 HG21 VAL 17 -6.492 -3.737 5.816 189 HG22 VAL 17 HG22 VAL 17 -7.460 -3.410 7.254 190 HG23 VAL 17 HG23 VAL 17 -8.128 -4.383 5.943 191 H TYR 18 H TYR 18 -3.645 -6.811 8.110 192 HA TYR 18 HA TYR 18 -1.843 -5.562 6.198 193 HB2 TYR 18 HB2 TYR 18 -1.543 -8.152 7.743 194 HB3 TYR 18 HB3 TYR 18 -0.294 -7.379 6.781 195 HD1 TYR 18 HD1 TYR 18 -2.351 -7.014 9.843 196 HD2 TYR 18 HD2 TYR 18 1.103 -5.709 7.729 197 HE1 TYR 18 HE1 TYR 18 -1.562 -5.844 11.854 198 HE2 TYR 18 HE2 TYR 18 1.899 -4.548 9.727 199 HH TYR 18 HH TYR 18 0.997 -3.594 11.776 200 H LEU 19 H LEU 19 -2.279 -5.928 4.100 201 HA LEU 19 HA LEU 19 -2.947 -8.704 3.340 202 HB2 LEU 19 HB2 LEU 19 -3.994 -7.478 1.242 203 HB3 LEU 19 HB3 LEU 19 -4.904 -7.670 2.726 204 HG LEU 19 HG LEU 19 -3.336 -5.167 2.392 205 HD11 LEU 19 HD11 LEU 19 -4.252 -4.899 0.365 206 HD12 LEU 19 HD12 LEU 19 -5.706 -4.505 1.288 207 HD13 LEU 19 HD13 LEU 19 -5.474 -6.144 0.646 208 HD21 LEU 19 HD21 LEU 19 -4.615 -5.604 4.447 209 HD22 LEU 19 HD22 LEU 19 -6.081 -5.803 3.487 210 HD23 LEU 19 HD23 LEU 19 -5.277 -4.235 3.555 211 HA PRO 20 HA PRO 20 0.985 -7.705 1.222 212 HB2 PRO 20 HB2 PRO 20 2.391 -9.798 2.031 213 HB3 PRO 20 HB3 PRO 20 2.020 -8.487 3.160 214 HG2 PRO 20 HG2 PRO 20 0.730 -11.173 2.889 215 HG3 PRO 20 HG3 PRO 20 1.150 -10.278 4.356 216 HD2 PRO 20 HD2 PRO 20 -1.374 -10.359 3.184 217 HD3 PRO 20 HD3 PRO 20 -0.821 -9.139 4.349 218 H ASN 21 H ASN 21 -1.342 -10.084 0.850 219 HA ASN 21 HA ASN 21 0.212 -11.726 -1.001 220 HB2 ASN 21 HB2 ASN 21 -2.630 -12.129 -0.050 221 HB3 ASN 21 HB3 ASN 21 -1.638 -13.295 -0.916 222 HD21 ASN 21 HD21 ASN 21 -0.037 -14.411 0.186 223 HD22 ASN 21 HD22 ASN 21 0.072 -14.409 1.912 224 H LEU 22 H LEU 22 -1.163 -8.927 -1.343 225 HA LEU 22 HA LEU 22 -2.945 -9.411 -3.552 226 HB2 LEU 22 HB2 LEU 22 -1.774 -6.872 -2.435 227 HB3 LEU 22 HB3 LEU 22 -2.883 -6.921 -3.789 228 HG LEU 22 HG LEU 22 -3.421 -7.486 -0.901 229 HD11 LEU 22 HD11 LEU 22 -3.731 -5.238 -1.657 230 HD12 LEU 22 HD12 LEU 22 -5.309 -5.973 -1.384 231 HD13 LEU 22 HD13 LEU 22 -4.697 -5.783 -3.026 232 HD21 LEU 22 HD21 LEU 22 -5.173 -8.307 -3.212 233 HD22 LEU 22 HD22 LEU 22 -5.586 -8.352 -1.486 234 HD23 LEU 22 HD23 LEU 22 -4.310 -9.394 -2.117 235 H ASN 23 H ASN 23 -2.643 -8.581 -5.637 236 HA ASN 23 HA ASN 23 0.077 -8.787 -6.623 237 HB2 ASN 23 HB2 ASN 23 -2.491 -8.092 -8.076 238 HB3 ASN 23 HB3 ASN 23 -0.934 -8.370 -8.850 239 HD21 ASN 23 HD21 ASN 23 -3.466 -9.739 -9.200 240 HD22 ASN 23 HD22 ASN 23 -3.161 -11.406 -8.855 241 HA PRO 24 HA PRO 24 1.274 -4.479 -6.439 242 HB2 PRO 24 HB2 PRO 24 1.952 -4.974 -9.313 243 HB3 PRO 24 HB3 PRO 24 2.904 -4.175 -8.057 244 HG2 PRO 24 HG2 PRO 24 3.436 -6.685 -8.788 245 HG3 PRO 24 HG3 PRO 24 3.565 -6.175 -7.096 246 HD2 PRO 24 HD2 PRO 24 1.519 -7.876 -8.403 247 HD3 PRO 24 HD3 PRO 24 2.065 -7.858 -6.716 248 H ASP 25 H ASP 25 -0.338 -5.591 -9.412 249 HA ASP 25 HA ASP 25 -1.414 -3.057 -10.095 250 HB2 ASP 25 HB2 ASP 25 -2.341 -5.807 -10.946 251 HB3 ASP 25 HB3 ASP 25 -2.815 -4.289 -11.699 252 H GLN 26 H GLN 26 -2.617 -5.743 -8.165 253 HA GLN 26 HA GLN 26 -5.279 -4.876 -7.914 254 HB2 GLN 26 HB2 GLN 26 -3.522 -6.649 -6.256 255 HB3 GLN 26 HB3 GLN 26 -5.109 -6.173 -5.658 256 HG2 GLN 26 HG2 GLN 26 -6.129 -7.116 -7.681 257 HG3 GLN 26 HG3 GLN 26 -4.539 -7.636 -8.223 258 HE21 GLN 26 HE21 GLN 26 -6.966 -9.172 -7.549 259 HE22 GLN 26 HE22 GLN 26 -6.468 -10.310 -6.346 260 H LEU 27 H LEU 27 -2.419 -4.238 -5.871 261 HA LEU 27 HA LEU 27 -3.681 -2.564 -4.018 262 HB2 LEU 27 HB2 LEU 27 -0.861 -2.432 -5.097 263 HB3 LEU 27 HB3 LEU 27 -1.438 -1.505 -3.730 264 HG LEU 27 HG LEU 27 -1.404 -4.510 -3.818 265 HD11 LEU 27 HD11 LEU 27 0.851 -3.489 -3.968 266 HD12 LEU 27 HD12 LEU 27 0.585 -4.424 -2.495 267 HD13 LEU 27 HD13 LEU 27 0.529 -2.661 -2.444 268 HD21 LEU 27 HD21 LEU 27 -3.036 -3.505 -2.291 269 HD22 LEU 27 HD22 LEU 27 -1.745 -2.559 -1.550 270 HD23 LEU 27 HD23 LEU 27 -1.737 -4.318 -1.418 271 H CYS 28 H CYS 28 -2.174 -1.832 -7.121 272 HA CYS 28 HA CYS 28 -2.506 0.921 -7.174 273 HB2 CYS 28 HB2 CYS 28 -1.246 -0.450 -8.840 274 HB3 CYS 28 HB3 CYS 28 -2.783 -0.972 -9.517 275 H ALA 29 H ALA 29 -4.761 -1.642 -8.101 276 HA ALA 29 HA ALA 29 -6.829 0.104 -8.983 277 HB1 ALA 29 HB1 ALA 29 -6.667 -2.209 -9.757 278 HB2 ALA 29 HB2 ALA 29 -8.227 -1.901 -8.996 279 HB3 ALA 29 HB3 ALA 29 -6.977 -2.784 -8.119 280 H PHE 30 H PHE 30 -6.266 -1.714 -5.983 281 HA PHE 30 HA PHE 30 -8.700 -1.076 -4.749 282 HB2 PHE 30 HB2 PHE 30 -7.663 -2.881 -3.776 283 HB3 PHE 30 HB3 PHE 30 -6.063 -2.163 -3.893 284 HD1 PHE 30 HD1 PHE 30 -5.085 -1.164 -2.081 285 HD2 PHE 30 HD2 PHE 30 -9.257 -1.949 -2.017 286 HE1 PHE 30 HE1 PHE 30 -5.158 -0.536 0.301 287 HE2 PHE 30 HE2 PHE 30 -9.345 -1.323 0.363 288 HZ PHE 30 HZ PHE 30 -7.293 -0.616 1.525 289 H ILE 31 H ILE 31 -5.486 0.430 -4.453 290 HA ILE 31 HA ILE 31 -6.282 2.338 -2.533 291 HB ILE 31 HB ILE 31 -3.972 2.414 -4.465 292 HG12 ILE 31 HG12 ILE 31 -3.992 1.690 -1.531 293 HG13 ILE 31 HG13 ILE 31 -4.096 0.497 -2.821 294 HG21 ILE 31 HG21 ILE 31 -4.556 4.089 -2.028 295 HG22 ILE 31 HG22 ILE 31 -4.419 4.647 -3.696 296 HG23 ILE 31 HG23 ILE 31 -2.999 4.034 -2.849 297 HD11 ILE 31 HD11 ILE 31 -1.834 2.446 -2.498 298 HD12 ILE 31 HD12 ILE 31 -1.928 1.089 -3.625 299 HD13 ILE 31 HD13 ILE 31 -1.825 0.789 -1.890 300 H HIS 32 H HIS 32 -6.143 2.392 -6.023 301 HA HIS 32 HA HIS 32 -6.763 5.113 -6.396 302 HB2 HIS 32 HB2 HIS 32 -5.969 3.506 -8.188 303 HB3 HIS 32 HB3 HIS 32 -7.602 2.854 -8.228 304 HD1 HIS 32 HD1 HIS 32 -9.210 4.003 -9.768 305 HD2 HIS 32 HD2 HIS 32 -5.879 6.342 -8.932 306 HE1 HIS 32 HE1 HIS 32 -9.416 6.028 -11.241 307 HE2 HIS 32 HE2 HIS 32 -7.495 7.512 -10.570 308 H SER 33 H SER 33 -8.706 2.281 -5.780 309 HA SER 33 HA SER 33 -11.218 3.552 -6.259 310 HB2 SER 33 HB2 SER 33 -10.628 1.013 -4.725 311 HB3 SER 33 HB3 SER 33 -12.194 1.507 -5.370 312 HG SER 33 HG SER 33 -9.848 0.799 -6.812 313 H ILE 34 H ILE 34 -9.065 3.377 -3.536 314 HA ILE 34 HA ILE 34 -11.036 3.986 -1.549 315 HB ILE 34 HB ILE 34 -8.042 4.407 -1.461 316 HG12 ILE 34 HG12 ILE 34 -8.734 2.041 -1.724 317 HG13 ILE 34 HG13 ILE 34 -7.984 2.343 -0.162 318 HG21 ILE 34 HG21 ILE 34 -10.072 4.447 0.779 319 HG22 ILE 34 HG22 ILE 34 -9.235 5.851 0.121 320 HG23 ILE 34 HG23 ILE 34 -8.324 4.595 0.963 321 HD11 ILE 34 HD11 ILE 34 -10.199 2.422 0.875 322 HD12 ILE 34 HD12 ILE 34 -9.905 0.885 0.062 323 HD13 ILE 34 HD13 ILE 34 -10.937 2.100 -0.693 324 H HIS 35 H HIS 35 -8.623 5.901 -3.307 325 HA HIS 35 HA HIS 35 -9.416 8.342 -2.042 326 HB2 HIS 35 HB2 HIS 35 -7.134 7.823 -3.003 327 HB3 HIS 35 HB3 HIS 35 -7.837 8.050 -4.596 328 HD1 HIS 35 HD1 HIS 35 -7.709 10.360 -5.496 329 HD2 HIS 35 HD2 HIS 35 -7.434 10.298 -1.349 330 HE1 HIS 35 HE1 HIS 35 -7.229 12.733 -4.811 331 HE2 HIS 35 HE2 HIS 35 -6.991 12.659 -2.304 332 H ASP 36 H ASP 36 -10.240 6.648 -4.965 333 HA ASP 36 HA ASP 36 -11.716 8.846 -6.096 334 HB2 ASP 36 HB2 ASP 36 -10.577 7.009 -7.424 335 HB3 ASP 36 HB3 ASP 36 -11.878 5.945 -6.909 336 H ASP 37 H ASP 37 -12.559 5.792 -4.433 337 HA ASP 37 HA ASP 37 -15.225 6.907 -3.965 338 HB2 ASP 37 HB2 ASP 37 -14.261 4.092 -4.419 339 HB3 ASP 37 HB3 ASP 37 -15.752 4.422 -3.585 340 HA PRO 38 HA PRO 38 -12.830 6.394 0.045 341 HB2 PRO 38 HB2 PRO 38 -13.525 8.766 1.154 342 HB3 PRO 38 HB3 PRO 38 -12.145 8.579 0.073 343 HG2 PRO 38 HG2 PRO 38 -14.910 9.554 -0.560 344 HG3 PRO 38 HG3 PRO 38 -13.347 10.237 -1.050 345 HD2 PRO 38 HD2 PRO 38 -14.792 8.699 -2.713 346 HD3 PRO 38 HD3 PRO 38 -13.018 8.635 -2.694 347 H SER 39 H SER 39 -16.113 7.406 -0.654 348 HA SER 39 HA SER 39 -17.171 6.835 1.922 349 HB2 SER 39 HB2 SER 39 -18.585 6.883 -0.755 350 HB3 SER 39 HB3 SER 39 -19.364 6.934 0.826 351 HG SER 39 HG SER 39 -18.003 8.918 -0.559 352 H GLN 40 H GLN 40 -16.448 4.902 -0.887 353 HA GLN 40 HA GLN 40 -17.841 2.597 0.161 354 HB2 GLN 40 HB2 GLN 40 -16.105 2.834 -2.298 355 HB3 GLN 40 HB3 GLN 40 -17.126 1.478 -1.869 356 HG2 GLN 40 HG2 GLN 40 -19.015 3.229 -1.876 357 HG3 GLN 40 HG3 GLN 40 -17.891 4.169 -2.847 358 HE21 GLN 40 HE21 GLN 40 -17.440 3.544 -4.923 359 HE22 GLN 40 HE22 GLN 40 -18.297 2.286 -5.739 360 H SER 41 H SER 41 -14.912 3.997 0.801 361 HA SER 41 HA SER 41 -12.893 2.241 0.445 362 HB2 SER 41 HB2 SER 41 -11.889 3.125 2.566 363 HB3 SER 41 HB3 SER 41 -12.481 4.372 1.469 364 HG SER 41 HG SER 41 -14.038 4.875 2.838 365 H ALA 42 H ALA 42 -15.222 2.058 3.120 366 HA ALA 42 HA ALA 42 -14.228 -0.072 4.566 367 HB1 ALA 42 HB1 ALA 42 -17.117 0.467 3.923 368 HB2 ALA 42 HB2 ALA 42 -16.188 1.273 5.190 369 HB3 ALA 42 HB3 ALA 42 -16.508 -0.459 5.297 370 H ASN 43 H ASN 43 -16.136 -0.123 1.633 371 HA ASN 43 HA ASN 43 -16.388 -2.989 1.566 372 HB2 ASN 43 HB2 ASN 43 -18.172 -1.642 0.629 373 HB3 ASN 43 HB3 ASN 43 -17.048 -0.858 -0.477 374 HD21 ASN 43 HD21 ASN 43 -16.424 -1.915 -2.338 375 HD22 ASN 43 HD22 ASN 43 -17.145 -3.395 -2.867 376 H LEU 44 H LEU 44 -14.372 -0.535 0.030 377 HA LEU 44 HA LEU 44 -13.241 -2.236 -1.907 378 HB2 LEU 44 HB2 LEU 44 -12.374 0.378 -0.739 379 HB3 LEU 44 HB3 LEU 44 -11.297 -0.511 -1.796 380 HG LEU 44 HG LEU 44 -12.295 0.904 -3.301 381 HD11 LEU 44 HD11 LEU 44 -13.836 -0.313 -4.649 382 HD12 LEU 44 HD12 LEU 44 -14.317 -1.320 -3.284 383 HD13 LEU 44 HD13 LEU 44 -12.689 -1.464 -3.952 384 HD21 LEU 44 HD21 LEU 44 -14.631 1.606 -3.254 385 HD22 LEU 44 HD22 LEU 44 -13.794 1.998 -1.753 386 HD23 LEU 44 HD23 LEU 44 -14.896 0.624 -1.814 387 H LEU 45 H LEU 45 -12.248 -1.536 1.454 388 HA LEU 45 HA LEU 45 -9.913 -3.215 1.029 389 HB2 LEU 45 HB2 LEU 45 -9.033 -2.420 2.959 390 HB3 LEU 45 HB3 LEU 45 -10.112 -1.093 2.586 391 HG LEU 45 HG LEU 45 -10.991 -3.303 4.403 392 HD11 LEU 45 HD11 LEU 45 -10.192 -1.954 6.292 393 HD12 LEU 45 HD12 LEU 45 -9.402 -0.858 5.156 394 HD13 LEU 45 HD13 LEU 45 -8.866 -2.534 5.283 395 HD21 LEU 45 HD21 LEU 45 -12.394 -1.545 5.341 396 HD22 LEU 45 HD22 LEU 45 -12.675 -1.727 3.609 397 HD23 LEU 45 HD23 LEU 45 -11.702 -0.383 4.208 398 H ALA 46 H ALA 46 -13.142 -3.508 2.104 399 HA ALA 46 HA ALA 46 -13.056 -5.912 3.531 400 HB1 ALA 46 HB1 ALA 46 -15.098 -4.534 3.172 401 HB2 ALA 46 HB2 ALA 46 -15.340 -6.245 2.817 402 HB3 ALA 46 HB3 ALA 46 -15.129 -5.091 1.493 403 H GLU 47 H GLU 47 -13.246 -5.245 0.091 404 HA GLU 47 HA GLU 47 -13.107 -7.872 -0.875 405 HB2 GLU 47 HB2 GLU 47 -12.053 -5.320 -2.116 406 HB3 GLU 47 HB3 GLU 47 -12.331 -6.837 -2.970 407 HG2 GLU 47 HG2 GLU 47 -14.430 -5.226 -1.567 408 HG3 GLU 47 HG3 GLU 47 -14.101 -5.195 -3.304 409 H ALA 48 H ALA 48 -10.592 -5.453 -0.353 410 HA ALA 48 HA ALA 48 -8.384 -6.879 -1.176 411 HB1 ALA 48 HB1 ALA 48 -8.287 -4.536 -0.578 412 HB2 ALA 48 HB2 ALA 48 -7.050 -5.474 0.272 413 HB3 ALA 48 HB3 ALA 48 -8.506 -4.954 1.124 414 H LYS 49 H LYS 49 -10.020 -7.017 1.949 415 HA LYS 49 HA LYS 49 -8.143 -8.661 3.259 416 HB2 LYS 49 HB2 LYS 49 -11.103 -8.290 3.720 417 HB3 LYS 49 HB3 LYS 49 -10.059 -9.210 4.788 418 HG2 LYS 49 HG2 LYS 49 -8.828 -7.285 5.372 419 HG3 LYS 49 HG3 LYS 49 -9.577 -6.330 4.102 420 HD2 LYS 49 HD2 LYS 49 -10.602 -5.663 6.126 421 HD3 LYS 49 HD3 LYS 49 -11.771 -6.684 5.296 422 HE2 LYS 49 HE2 LYS 49 -9.912 -7.771 7.390 423 HE3 LYS 49 HE3 LYS 49 -11.448 -7.027 7.812 424 HZ1 LYS 49 HZ1 LYS 49 -11.748 -9.366 7.675 425 HZ2 LYS 49 HZ2 LYS 49 -11.034 -9.444 6.149 426 HZ3 LYS 49 HZ3 LYS 49 -12.529 -8.678 6.340 427 H LYS 50 H LYS 50 -10.889 -9.398 1.172 428 HA LYS 50 HA LYS 50 -10.564 -12.246 1.545 429 HB2 LYS 50 HB2 LYS 50 -12.779 -11.208 1.049 430 HB3 LYS 50 HB3 LYS 50 -12.176 -10.763 -0.542 431 HG2 LYS 50 HG2 LYS 50 -13.475 -12.741 -0.782 432 HG3 LYS 50 HG3 LYS 50 -11.780 -13.186 -0.987 433 HD2 LYS 50 HD2 LYS 50 -11.791 -13.805 1.474 434 HD3 LYS 50 HD3 LYS 50 -13.546 -13.644 1.405 435 HE2 LYS 50 HE2 LYS 50 -13.022 -15.946 1.098 436 HE3 LYS 50 HE3 LYS 50 -13.541 -15.307 -0.460 437 HZ1 LYS 50 HZ1 LYS 50 -10.728 -15.746 0.401 438 HZ2 LYS 50 HZ2 LYS 50 -11.207 -15.093 -1.090 439 HZ3 LYS 50 HZ3 LYS 50 -11.593 -16.693 -0.707 440 H LEU 51 H LEU 51 -9.501 -9.750 -0.591 441 HA LEU 51 HA LEU 51 -8.601 -11.253 -2.770 442 HB2 LEU 51 HB2 LEU 51 -8.326 -8.566 -1.740 443 HB3 LEU 51 HB3 LEU 51 -6.847 -9.118 -2.467 444 HG LEU 51 HG LEU 51 -8.124 -9.629 -4.533 445 HD11 LEU 51 HD11 LEU 51 -10.326 -8.652 -4.846 446 HD12 LEU 51 HD12 LEU 51 -10.325 -8.049 -3.189 447 HD13 LEU 51 HD13 LEU 51 -10.366 -9.787 -3.497 448 HD21 LEU 51 HD21 LEU 51 -6.811 -7.628 -4.406 449 HD22 LEU 51 HD22 LEU 51 -8.108 -6.786 -3.556 450 HD23 LEU 51 HD23 LEU 51 -8.324 -7.271 -5.238 451 H ASN 52 H ASN 52 -6.574 -9.847 -0.107 452 HA ASN 52 HA ASN 52 -4.339 -11.432 -0.682 453 HB2 ASN 52 HB2 ASN 52 -3.426 -10.778 1.396 454 HB3 ASN 52 HB3 ASN 52 -4.443 -9.435 0.895 455 HD21 ASN 52 HD21 ASN 52 -4.033 -12.041 3.160 456 HD22 ASN 52 HD22 ASN 52 -5.238 -11.514 4.284 457 H ASP 53 H ASP 53 -7.239 -12.219 1.068 458 HA ASP 53 HA ASP 53 -6.310 -14.548 2.381 459 HB2 ASP 53 HB2 ASP 53 -8.358 -13.546 3.123 460 HB3 ASP 53 HB3 ASP 53 -9.066 -13.661 1.517 461 H ALA 54 H ALA 54 -7.685 -13.968 -0.797 462 HA ALA 54 HA ALA 54 -8.028 -16.718 -1.457 463 HB1 ALA 54 HB1 ALA 54 -7.881 -14.330 -3.289 464 HB2 ALA 54 HB2 ALA 54 -9.338 -14.914 -2.487 465 HB3 ALA 54 HB3 ALA 54 -8.529 -15.921 -3.687 466 H GLN 55 H GLN 55 -5.395 -14.450 -1.738 467 HA GLN 55 HA GLN 55 -3.902 -16.430 -3.320 468 HB2 GLN 55 HB2 GLN 55 -3.266 -13.498 -2.983 469 HB3 GLN 55 HB3 GLN 55 -2.471 -14.631 -4.068 470 HG2 GLN 55 HG2 GLN 55 -4.710 -14.926 -5.194 471 HG3 GLN 55 HG3 GLN 55 -5.263 -13.545 -4.248 472 HE21 GLN 55 HE21 GLN 55 -5.598 -12.237 -6.002 473 HE22 GLN 55 HE22 GLN 55 -4.307 -11.591 -6.953 474 H ALA 56 H ALA 56 -4.332 -16.332 -0.356 475 HA ALA 56 HA ALA 56 -1.730 -15.760 0.738 476 HB1 ALA 56 HB1 ALA 56 -4.297 -16.869 1.807 477 HB2 ALA 56 HB2 ALA 56 -3.522 -15.329 2.184 478 HB3 ALA 56 HB3 ALA 56 -2.828 -16.837 2.784 479 H GLY 13 H GLY 13 13.030 -2.745 8.113 480 HA2 GLY 13 HA2 GLY 13 12.340 -4.910 7.314 481 HA3 GLY 13 HA3 GLY 13 13.612 -5.649 8.276 482 H GLY 14 H GLY 14 10.513 -4.028 8.351 483 HA2 GLY 14 HA2 GLY 14 8.933 -5.147 9.904 484 HA3 GLY 14 HA3 GLY 14 10.195 -5.024 11.119 485 H GLU 15 H GLU 15 10.503 -2.227 9.510 486 HA GLU 15 HA GLU 15 9.033 -0.773 11.506 487 HB2 GLU 15 HB2 GLU 15 9.854 1.251 10.306 488 HB3 GLU 15 HB3 GLU 15 11.106 0.179 10.867 489 HG2 GLU 15 HG2 GLU 15 10.104 0.124 8.069 490 HG3 GLU 15 HG3 GLU 15 11.376 1.220 8.575 491 H ILE 16 H ILE 16 7.452 0.775 11.102 492 HA ILE 16 HA ILE 16 5.629 -0.093 8.979 493 HB ILE 16 HB ILE 16 5.021 1.733 11.313 494 HG12 ILE 16 HG12 ILE 16 4.699 -1.238 10.931 495 HG13 ILE 16 HG13 ILE 16 5.479 -0.391 12.259 496 HG21 ILE 16 HG21 ILE 16 2.690 1.348 10.711 497 HG22 ILE 16 HG22 ILE 16 3.196 0.331 9.360 498 HG23 ILE 16 HG23 ILE 16 3.578 2.053 9.360 499 HD11 ILE 16 HD11 ILE 16 2.525 -0.482 11.680 500 HD12 ILE 16 HD12 ILE 16 3.280 0.441 12.983 501 HD13 ILE 16 HD13 ILE 16 3.377 -1.320 12.979 502 H VAL 17 H VAL 17 5.254 1.111 7.235 503 HA VAL 17 HA VAL 17 6.297 3.872 7.261 504 HB VAL 17 HB VAL 17 6.594 1.851 5.028 505 HG11 VAL 17 HG11 VAL 17 8.041 3.504 3.984 506 HG12 VAL 17 HG12 VAL 17 7.699 4.635 5.295 507 HG13 VAL 17 HG13 VAL 17 6.407 4.119 4.212 508 HG21 VAL 17 HG21 VAL 17 8.983 1.932 5.518 509 HG22 VAL 17 HG22 VAL 17 8.038 1.260 6.845 510 HG23 VAL 17 HG23 VAL 17 8.645 2.915 6.942 511 H TYR 18 H TYR 18 4.187 4.675 7.504 512 HA TYR 18 HA TYR 18 2.087 3.872 5.689 513 HB2 TYR 18 HB2 TYR 18 2.290 5.438 8.157 514 HB3 TYR 18 HB3 TYR 18 1.165 6.122 6.990 515 HD1 TYR 18 HD1 TYR 18 -0.977 5.222 6.728 516 HD2 TYR 18 HD2 TYR 18 1.968 3.004 8.843 517 HE1 TYR 18 HE1 TYR 18 -2.699 3.614 7.426 518 HE2 TYR 18 HE2 TYR 18 0.255 1.386 9.545 519 HH TYR 18 HH TYR 18 -2.221 1.369 9.876 520 H LEU 19 H LEU 19 1.585 4.814 3.807 521 HA LEU 19 HA LEU 19 2.362 7.609 3.395 522 HB2 LEU 19 HB2 LEU 19 2.757 5.358 1.425 523 HB3 LEU 19 HB3 LEU 19 2.878 7.051 1.003 524 HG LEU 19 HG LEU 19 4.647 7.039 2.977 525 HD11 LEU 19 HD11 LEU 19 4.538 4.214 1.987 526 HD12 LEU 19 HD12 LEU 19 4.520 4.798 3.654 527 HD13 LEU 19 HD13 LEU 19 5.986 4.934 2.682 528 HD21 LEU 19 HD21 LEU 19 6.345 6.812 1.302 529 HD22 LEU 19 HD22 LEU 19 4.967 7.706 0.640 530 HD23 LEU 19 HD23 LEU 19 5.206 6.003 0.223 531 HA PRO 20 HA PRO 20 -2.036 6.795 2.070 532 HB2 PRO 20 HB2 PRO 20 -3.369 8.152 3.948 533 HB3 PRO 20 HB3 PRO 20 -2.798 6.506 4.241 534 HG2 PRO 20 HG2 PRO 20 -1.625 9.105 5.139 535 HG3 PRO 20 HG3 PRO 20 -1.793 7.584 6.032 536 HD2 PRO 20 HD2 PRO 20 0.524 8.429 4.793 537 HD3 PRO 20 HD3 PRO 20 0.145 6.739 5.178 538 H ASN 21 H ASN 21 0.024 9.395 2.620 539 HA ASN 21 HA ASN 21 -1.743 11.458 1.612 540 HB2 ASN 21 HB2 ASN 21 1.214 11.541 2.261 541 HB3 ASN 21 HB3 ASN 21 0.222 12.934 1.845 542 HD21 ASN 21 HD21 ASN 21 -1.231 13.738 3.335 543 HD22 ASN 21 HD22 ASN 21 -1.190 13.280 5.001 544 H LEU 22 H LEU 22 0.251 9.068 0.380 545 HA LEU 22 HA LEU 22 1.015 10.326 -2.058 546 HB2 LEU 22 HB2 LEU 22 0.793 7.452 -1.232 547 HB3 LEU 22 HB3 LEU 22 1.272 7.934 -2.846 548 HG LEU 22 HG LEU 22 2.762 8.450 -0.276 549 HD11 LEU 22 HD11 LEU 22 2.881 6.182 -1.248 550 HD12 LEU 22 HD12 LEU 22 4.424 7.027 -1.262 551 HD13 LEU 22 HD13 LEU 22 3.489 6.886 -2.747 552 HD21 LEU 22 HD21 LEU 22 3.123 10.395 -1.542 553 HD22 LEU 22 HD22 LEU 22 3.220 9.491 -3.053 554 HD23 LEU 22 HD23 LEU 22 4.519 9.355 -1.859 555 H ASN 23 H ASN 23 -0.035 10.452 -3.937 556 HA ASN 23 HA ASN 23 -2.830 9.740 -4.003 557 HB2 ASN 23 HB2 ASN 23 -2.851 10.778 -6.219 558 HB3 ASN 23 HB3 ASN 23 -2.056 11.836 -5.059 559 HD21 ASN 23 HD21 ASN 23 0.149 12.181 -5.208 560 HD22 ASN 23 HD22 ASN 23 1.061 11.756 -6.617 561 HA PRO 24 HA PRO 24 -2.736 5.605 -5.402 562 HB2 PRO 24 HB2 PRO 24 -4.398 6.689 -7.649 563 HB3 PRO 24 HB3 PRO 24 -4.636 5.227 -6.685 564 HG2 PRO 24 HG2 PRO 24 -6.034 7.422 -6.157 565 HG3 PRO 24 HG3 PRO 24 -5.411 6.410 -4.842 566 HD2 PRO 24 HD2 PRO 24 -4.506 9.077 -5.762 567 HD3 PRO 24 HD3 PRO 24 -4.384 8.332 -4.158 568 H ASP 25 H ASP 25 -2.578 7.892 -8.145 569 HA ASP 25 HA ASP 25 -1.335 6.129 -9.934 570 HB2 ASP 25 HB2 ASP 25 -1.340 9.146 -9.849 571 HB3 ASP 25 HB3 ASP 25 -0.689 8.210 -11.189 572 H GLN 26 H GLN 26 0.037 8.308 -7.543 573 HA GLN 26 HA GLN 26 2.703 8.072 -8.551 574 HB2 GLN 26 HB2 GLN 26 2.531 10.078 -7.516 575 HB3 GLN 26 HB3 GLN 26 1.287 9.520 -6.408 576 HG2 GLN 26 HG2 GLN 26 3.198 10.133 -5.149 577 HG3 GLN 26 HG3 GLN 26 3.022 8.382 -5.113 578 HE21 GLN 26 HE21 GLN 26 5.184 8.060 -4.595 579 HE22 GLN 26 HE22 GLN 26 6.460 8.302 -5.735 580 H LEU 27 H LEU 27 0.923 6.780 -5.728 581 HA LEU 27 HA LEU 27 3.192 5.297 -4.833 582 HB2 LEU 27 HB2 LEU 27 1.565 4.133 -3.330 583 HB3 LEU 27 HB3 LEU 27 1.633 5.872 -3.161 584 HG LEU 27 HG LEU 27 -0.446 5.900 -4.684 585 HD11 LEU 27 HD11 LEU 27 -1.837 3.881 -4.506 586 HD12 LEU 27 HD12 LEU 27 -0.464 3.026 -3.803 587 HD13 LEU 27 HD13 LEU 27 -0.375 3.628 -5.457 588 HD21 LEU 27 HD21 LEU 27 -1.910 5.631 -2.766 589 HD22 LEU 27 HD22 LEU 27 -0.438 6.484 -2.305 590 HD23 LEU 27 HD23 LEU 27 -0.641 4.776 -1.883 591 H CYS 28 H CYS 28 0.757 4.775 -7.176 592 HA CYS 28 HA CYS 28 0.829 1.994 -7.456 593 HB2 CYS 28 HB2 CYS 28 -0.745 3.514 -8.642 594 HB3 CYS 28 HB3 CYS 28 0.587 4.080 -9.641 595 H ALA 29 H ALA 29 2.906 4.531 -8.785 596 HA ALA 29 HA ALA 29 4.583 2.811 -10.283 597 HB1 ALA 29 HB1 ALA 29 5.173 5.549 -9.161 598 HB2 ALA 29 HB2 ALA 29 4.433 5.212 -10.726 599 HB3 ALA 29 HB3 ALA 29 6.098 4.722 -10.414 600 H PHE 30 H PHE 30 4.656 4.017 -6.983 601 HA PHE 30 HA PHE 30 7.230 3.121 -6.301 602 HB2 PHE 30 HB2 PHE 30 6.470 4.603 -4.742 603 HB3 PHE 30 HB3 PHE 30 4.806 4.059 -4.881 604 HD1 PHE 30 HD1 PHE 30 3.877 2.659 -3.317 605 HD2 PHE 30 HD2 PHE 30 8.095 3.157 -3.419 606 HE1 PHE 30 HE1 PHE 30 4.064 1.432 -1.186 607 HE2 PHE 30 HE2 PHE 30 8.298 1.930 -1.294 608 HZ PHE 30 HZ PHE 30 6.280 1.065 -0.175 609 H ILE 31 H ILE 31 4.032 1.605 -5.913 610 HA ILE 31 HA ILE 31 4.909 -0.775 -4.717 611 HB ILE 31 HB ILE 31 2.518 -0.287 -6.498 612 HG12 ILE 31 HG12 ILE 31 2.765 -0.459 -3.483 613 HG13 ILE 31 HG13 ILE 31 2.602 1.041 -4.410 614 HG21 ILE 31 HG21 ILE 31 1.591 -2.349 -5.578 615 HG22 ILE 31 HG22 ILE 31 3.090 -2.638 -4.695 616 HG23 ILE 31 HG23 ILE 31 3.087 -2.661 -6.459 617 HD11 ILE 31 HD11 ILE 31 0.487 0.413 -3.441 618 HD12 ILE 31 HD12 ILE 31 0.570 -1.175 -4.207 619 HD13 ILE 31 HD13 ILE 31 0.405 0.278 -5.198 620 H HIS 32 H HIS 32 4.401 0.032 -8.139 621 HA HIS 32 HA HIS 32 5.177 -2.497 -9.137 622 HB2 HIS 32 HB2 HIS 32 5.024 0.229 -10.401 623 HB3 HIS 32 HB3 HIS 32 5.615 -1.167 -11.294 624 HD1 HIS 32 HD1 HIS 32 2.658 0.669 -10.952 625 HD2 HIS 32 HD2 HIS 32 3.501 -3.400 -10.933 626 HE1 HIS 32 HE1 HIS 32 0.492 -0.471 -11.509 627 HE2 HIS 32 HE2 HIS 32 1.082 -2.912 -11.730 628 H SER 33 H SER 33 7.017 0.244 -8.047 629 HA SER 33 HA SER 33 9.482 -0.547 -9.251 630 HB2 SER 33 HB2 SER 33 8.932 1.261 -6.886 631 HB3 SER 33 HB3 SER 33 10.511 1.054 -7.644 632 HG SER 33 HG SER 33 8.148 2.119 -8.812 633 H ILE 34 H ILE 34 7.931 -1.143 -6.123 634 HA ILE 34 HA ILE 34 10.095 -2.510 -4.921 635 HB ILE 34 HB ILE 34 7.145 -2.974 -4.438 636 HG12 ILE 34 HG12 ILE 34 7.720 -0.615 -4.132 637 HG13 ILE 34 HG13 ILE 34 7.385 -1.375 -2.580 638 HG21 ILE 34 HG21 ILE 34 7.855 -3.797 -2.243 639 HG22 ILE 34 HG22 ILE 34 9.542 -3.565 -2.702 640 HG23 ILE 34 HG23 ILE 34 8.554 -4.754 -3.550 641 HD11 ILE 34 HD11 ILE 34 9.756 -1.519 -2.117 642 HD12 ILE 34 HD12 ILE 34 9.299 0.143 -2.485 643 HD13 ILE 34 HD13 ILE 34 10.126 -0.834 -3.697 644 H HIS 35 H HIS 35 7.466 -3.542 -7.000 645 HA HIS 35 HA HIS 35 8.013 -6.323 -6.886 646 HB2 HIS 35 HB2 HIS 35 5.862 -5.408 -7.680 647 HB3 HIS 35 HB3 HIS 35 6.672 -4.726 -9.082 648 HD1 HIS 35 HD1 HIS 35 6.254 -6.093 -11.099 649 HD2 HIS 35 HD2 HIS 35 6.482 -8.438 -7.675 650 HE1 HIS 35 HE1 HIS 35 5.904 -8.457 -11.872 651 HE2 HIS 35 HE2 HIS 35 6.248 -9.864 -9.816 652 H ASP 36 H ASP 36 9.202 -3.691 -8.853 653 HA ASP 36 HA ASP 36 10.500 -5.442 -10.735 654 HB2 ASP 36 HB2 ASP 36 9.491 -3.228 -11.355 655 HB3 ASP 36 HB3 ASP 36 10.810 -2.455 -10.483 656 H ASP 37 H ASP 37 11.370 -3.705 -7.887 657 HA ASP 37 HA ASP 37 14.009 -4.915 -7.953 658 HB2 ASP 37 HB2 ASP 37 14.066 -2.528 -8.979 659 HB3 ASP 37 HB3 ASP 37 13.846 -1.976 -7.318 660 HA PRO 38 HA PRO 38 11.825 -4.970 -3.844 661 HB2 PRO 38 HB2 PRO 38 12.463 -7.559 -3.300 662 HB3 PRO 38 HB3 PRO 38 11.019 -7.082 -4.194 663 HG2 PRO 38 HG2 PRO 38 13.660 -8.034 -5.246 664 HG3 PRO 38 HG3 PRO 38 12.024 -8.502 -5.748 665 HD2 PRO 38 HD2 PRO 38 13.459 -6.723 -7.157 666 HD3 PRO 38 HD3 PRO 38 11.704 -6.553 -6.965 667 H SER 39 H SER 39 15.026 -5.452 -4.967 668 HA SER 39 HA SER 39 16.292 -5.828 -2.450 669 HB2 SER 39 HB2 SER 39 17.448 -6.321 -4.569 670 HB3 SER 39 HB3 SER 39 17.389 -4.612 -5.000 671 HG SER 39 HG SER 39 19.343 -5.668 -3.836 672 H GLN 40 H GLN 40 15.596 -2.995 -4.462 673 HA GLN 40 HA GLN 40 16.636 -1.141 -2.529 674 HB2 GLN 40 HB2 GLN 40 14.902 -0.580 -4.930 675 HB3 GLN 40 HB3 GLN 40 15.960 0.547 -4.091 676 HG2 GLN 40 HG2 GLN 40 16.926 -1.909 -5.497 677 HG3 GLN 40 HG3 GLN 40 16.816 -0.334 -6.257 678 HE21 GLN 40 HE21 GLN 40 18.511 -2.288 -3.959 679 HE22 GLN 40 HE22 GLN 40 19.839 -1.210 -3.704 680 H SER 41 H SER 41 13.995 -2.977 -2.426 681 HA SER 41 HA SER 41 11.685 -1.654 -2.249 682 HB2 SER 41 HB2 SER 41 11.949 -4.042 -1.724 683 HB3 SER 41 HB3 SER 41 12.649 -3.616 -0.166 684 HG SER 41 HG SER 41 10.053 -3.773 -0.894 685 H ALA 42 H ALA 42 13.553 -2.042 0.776 686 HA ALA 42 HA ALA 42 12.194 -0.273 2.339 687 HB1 ALA 42 HB1 ALA 42 14.183 -0.160 3.718 688 HB2 ALA 42 HB2 ALA 42 15.156 -0.778 2.382 689 HB3 ALA 42 HB3 ALA 42 13.919 -1.802 3.126 690 H ASN 43 H ASN 43 14.866 0.476 0.149 691 HA ASN 43 HA ASN 43 15.017 3.210 0.940 692 HB2 ASN 43 HB2 ASN 43 16.959 2.129 0.015 693 HB3 ASN 43 HB3 ASN 43 16.105 1.780 -1.484 694 HD21 ASN 43 HD21 ASN 43 15.842 3.399 -3.003 695 HD22 ASN 43 HD22 ASN 43 16.642 4.927 -2.892 696 H LEU 44 H LEU 44 13.262 1.473 -1.552 697 HA LEU 44 HA LEU 44 12.284 3.826 -2.864 698 HB2 LEU 44 HB2 LEU 44 11.595 0.911 -2.889 699 HB3 LEU 44 HB3 LEU 44 10.465 2.052 -3.585 700 HG LEU 44 HG LEU 44 11.815 2.504 -5.397 701 HD11 LEU 44 HD11 LEU 44 13.765 3.313 -4.247 702 HD12 LEU 44 HD12 LEU 44 14.260 2.122 -5.452 703 HD13 LEU 44 HD13 LEU 44 14.193 1.678 -3.747 704 HD21 LEU 44 HD21 LEU 44 11.222 0.127 -5.432 705 HD22 LEU 44 HD22 LEU 44 12.735 -0.258 -4.607 706 HD23 LEU 44 HD23 LEU 44 12.766 0.426 -6.230 707 H LEU 45 H LEU 45 11.360 1.840 -0.180 708 HA LEU 45 HA LEU 45 8.838 2.995 0.399 709 HB2 LEU 45 HB2 LEU 45 10.765 1.211 1.670 710 HB3 LEU 45 HB3 LEU 45 9.838 2.159 2.810 711 HG LEU 45 HG LEU 45 7.858 1.326 1.214 712 HD11 LEU 45 HD11 LEU 45 9.916 -0.838 1.055 713 HD12 LEU 45 HD12 LEU 45 9.196 0.056 -0.280 714 HD13 LEU 45 HD13 LEU 45 8.206 -1.038 0.679 715 HD21 LEU 45 HD21 LEU 45 7.863 1.154 3.563 716 HD22 LEU 45 HD22 LEU 45 9.066 -0.131 3.518 717 HD23 LEU 45 HD23 LEU 45 7.446 -0.415 2.879 718 H ALA 46 H ALA 46 12.127 3.654 1.503 719 HA ALA 46 HA ALA 46 11.523 5.908 3.101 720 HB1 ALA 46 HB1 ALA 46 14.083 5.180 1.671 721 HB2 ALA 46 HB2 ALA 46 13.616 4.654 3.290 722 HB3 ALA 46 HB3 ALA 46 13.928 6.361 2.974 723 H GLU 47 H GLU 47 12.085 5.453 -0.300 724 HA GLU 47 HA GLU 47 12.573 8.153 -1.001 725 HB2 GLU 47 HB2 GLU 47 13.139 6.134 -2.392 726 HB3 GLU 47 HB3 GLU 47 11.426 5.974 -2.754 727 HG2 GLU 47 HG2 GLU 47 12.436 7.068 -4.586 728 HG3 GLU 47 HG3 GLU 47 11.500 8.278 -3.707 729 H ALA 48 H ALA 48 9.676 6.140 -1.525 730 HA ALA 48 HA ALA 48 7.986 8.201 -2.342 731 HB1 ALA 48 HB1 ALA 48 7.276 5.660 -0.875 732 HB2 ALA 48 HB2 ALA 48 7.383 5.867 -2.625 733 HB3 ALA 48 HB3 ALA 48 6.130 6.708 -1.707 734 H LYS 49 H LYS 49 8.984 7.196 0.843 735 HA LYS 49 HA LYS 49 7.035 8.437 2.395 736 HB2 LYS 49 HB2 LYS 49 9.736 7.389 2.822 737 HB3 LYS 49 HB3 LYS 49 9.282 8.673 3.932 738 HG2 LYS 49 HG2 LYS 49 7.654 6.199 3.430 739 HG3 LYS 49 HG3 LYS 49 8.813 6.380 4.745 740 HD2 LYS 49 HD2 LYS 49 6.435 8.185 4.318 741 HD3 LYS 49 HD3 LYS 49 6.448 6.799 5.408 742 HE2 LYS 49 HE2 LYS 49 8.329 7.824 6.630 743 HE3 LYS 49 HE3 LYS 49 8.220 9.233 5.578 744 HZ1 LYS 49 HZ1 LYS 49 7.071 9.639 7.634 745 HZ2 LYS 49 HZ2 LYS 49 6.120 8.261 7.430 746 HZ3 LYS 49 HZ3 LYS 49 5.941 9.569 6.374 747 H LYS 50 H LYS 50 9.713 9.804 0.655 748 HA LYS 50 HA LYS 50 9.892 12.261 2.006 749 HB2 LYS 50 HB2 LYS 50 10.386 11.645 -0.909 750 HB3 LYS 50 HB3 LYS 50 10.853 13.135 -0.102 751 HG2 LYS 50 HG2 LYS 50 12.252 11.775 1.445 752 HG3 LYS 50 HG3 LYS 50 11.887 10.367 0.448 753 HD2 LYS 50 HD2 LYS 50 12.865 11.508 -1.494 754 HD3 LYS 50 HD3 LYS 50 13.254 12.891 -0.474 755 HE2 LYS 50 HE2 LYS 50 15.221 11.535 -0.744 756 HE3 LYS 50 HE3 LYS 50 14.661 11.414 0.922 757 HZ1 LYS 50 HZ1 LYS 50 14.074 9.423 -1.201 758 HZ2 LYS 50 HZ2 LYS 50 13.696 9.290 0.448 759 HZ3 LYS 50 HZ3 LYS 50 15.311 9.265 -0.052 760 H LEU 51 H LEU 51 7.756 11.202 -0.628 761 HA LEU 51 HA LEU 51 6.534 13.783 -0.916 762 HB2 LEU 51 HB2 LEU 51 5.379 11.127 -1.753 763 HB3 LEU 51 HB3 LEU 51 4.897 12.708 -2.326 764 HG LEU 51 HG LEU 51 7.499 12.710 -3.063 765 HD11 LEU 51 HD11 LEU 51 8.020 10.511 -2.348 766 HD12 LEU 51 HD12 LEU 51 7.878 10.456 -4.106 767 HD13 LEU 51 HD13 LEU 51 6.561 9.853 -3.094 768 HD21 LEU 51 HD21 LEU 51 6.697 12.163 -5.305 769 HD22 LEU 51 HD22 LEU 51 5.589 13.257 -4.478 770 HD23 LEU 51 HD23 LEU 51 5.194 11.544 -4.620 771 H ASN 52 H ASN 52 5.640 10.733 0.656 772 HA ASN 52 HA ASN 52 3.221 11.458 1.774 773 HB2 ASN 52 HB2 ASN 52 3.755 9.227 2.095 774 HB3 ASN 52 HB3 ASN 52 5.391 9.574 2.638 775 HD21 ASN 52 HD21 ASN 52 2.022 9.553 3.559 776 HD22 ASN 52 HD22 ASN 52 2.286 9.546 5.264 777 H ASP 53 H ASP 53 6.482 12.197 2.928 778 HA ASP 53 HA ASP 53 5.597 13.400 5.371 779 HB2 ASP 53 HB2 ASP 53 7.832 12.407 5.180 780 HB3 ASP 53 HB3 ASP 53 8.256 13.587 3.944 781 H ALA 54 H ALA 54 6.332 14.512 2.168 782 HA ALA 54 HA ALA 54 6.443 17.284 2.720 783 HB1 ALA 54 HB1 ALA 54 5.768 15.854 0.167 784 HB2 ALA 54 HB2 ALA 54 7.394 16.238 0.724 785 HB3 ALA 54 HB3 ALA 54 6.273 17.538 0.311 786 H GLN 55 H GLN 55 3.886 15.121 1.614 787 HA GLN 55 HA GLN 55 1.933 17.255 1.515 788 HB2 GLN 55 HB2 GLN 55 1.991 15.369 -0.126 789 HB3 GLN 55 HB3 GLN 55 1.558 14.273 1.174 790 HG2 GLN 55 HG2 GLN 55 -0.386 14.801 -0.136 791 HG3 GLN 55 HG3 GLN 55 -0.550 15.492 1.477 792 HE21 GLN 55 HE21 GLN 55 -2.028 17.025 0.821 793 HE22 GLN 55 HE22 GLN 55 -1.597 18.381 -0.163 794 H ALA 56 H ALA 56 3.307 15.574 3.946 795 HA ALA 56 HA ALA 56 1.022 14.872 5.517 796 HB1 ALA 56 HB1 ALA 56 3.086 13.689 5.837 797 HB2 ALA 56 HB2 ALA 56 2.701 14.561 7.323 798 HB3 ALA 56 HB3 ALA 56 3.930 15.186 6.221 Start of MODEL 2 1 H GLN 10 H GLN 10 -16.407 11.469 7.523 2 HA GLN 10 HA GLN 10 -17.271 8.916 6.334 3 HB2 GLN 10 HB2 GLN 10 -15.679 9.462 4.550 4 HB3 GLN 10 HB3 GLN 10 -17.006 10.602 4.638 5 HG2 GLN 10 HG2 GLN 10 -15.587 12.181 5.812 6 HG3 GLN 10 HG3 GLN 10 -14.260 11.023 5.764 7 HE21 GLN 10 HE21 GLN 10 -14.431 13.726 4.662 8 HE22 GLN 10 HE22 GLN 10 -14.116 13.564 2.969 9 H ARG 11 H ARG 11 -15.191 7.784 5.598 10 HA ARG 11 HA ARG 11 -13.100 7.964 7.629 11 HB2 ARG 11 HB2 ARG 11 -13.105 5.583 8.000 12 HB3 ARG 11 HB3 ARG 11 -14.715 6.220 8.316 13 HG2 ARG 11 HG2 ARG 11 -15.535 5.399 6.253 14 HG3 ARG 11 HG3 ARG 11 -13.902 4.990 5.726 15 HD2 ARG 11 HD2 ARG 11 -15.198 3.018 6.473 16 HD3 ARG 11 HD3 ARG 11 -13.736 3.284 7.414 17 HE ARG 11 HE ARG 11 -15.195 4.285 9.138 18 HH11 ARG 11 HH11 ARG 11 -16.644 2.178 6.747 19 HH12 ARG 11 HH12 ARG 11 -17.907 1.638 7.804 20 HH21 ARG 11 HH21 ARG 11 -16.859 3.584 10.535 21 HH22 ARG 11 HH22 ARG 11 -18.030 2.438 9.963 22 H LEU 12 H LEU 12 -11.095 7.464 6.906 23 HA LEU 12 HA LEU 12 -10.833 6.686 4.113 24 HB2 LEU 12 HB2 LEU 12 -9.230 8.713 5.669 25 HB3 LEU 12 HB3 LEU 12 -8.681 8.040 4.148 26 HG LEU 12 HG LEU 12 -9.594 10.120 3.587 27 HD11 LEU 12 HD11 LEU 12 -10.344 8.304 2.140 28 HD12 LEU 12 HD12 LEU 12 -11.530 9.606 2.233 29 HD13 LEU 12 HD13 LEU 12 -11.786 8.116 3.140 30 HD21 LEU 12 HD21 LEU 12 -11.990 9.445 5.284 31 HD22 LEU 12 HD22 LEU 12 -11.801 10.896 4.300 32 HD23 LEU 12 HD23 LEU 12 -10.731 10.616 5.675 33 H ALA 13 H ALA 13 -8.553 5.856 3.667 34 HA ALA 13 HA ALA 13 -7.740 4.197 5.949 35 HB1 ALA 13 HB1 ALA 13 -8.838 2.940 4.099 36 HB2 ALA 13 HB2 ALA 13 -7.202 2.409 4.494 37 HB3 ALA 13 HB3 ALA 13 -7.488 3.404 3.063 38 H ASN 14 H ASN 14 -5.757 4.320 6.570 39 HA ASN 14 HA ASN 14 -3.862 5.952 5.064 40 HB2 ASN 14 HB2 ASN 14 -3.825 4.850 7.882 41 HB3 ASN 14 HB3 ASN 14 -2.520 5.796 7.182 42 HD21 ASN 14 HD21 ASN 14 -2.802 7.325 8.846 43 HD22 ASN 14 HD22 ASN 14 -4.099 8.464 8.805 44 H PHE 15 H PHE 15 -1.749 5.130 4.595 45 HA PHE 15 HA PHE 15 -1.757 2.204 4.357 46 HB2 PHE 15 HB2 PHE 15 -1.618 3.722 2.273 47 HB3 PHE 15 HB3 PHE 15 0.030 4.060 2.798 48 HD1 PHE 15 HD1 PHE 15 1.772 2.492 2.471 49 HD2 PHE 15 HD2 PHE 15 -2.268 1.400 1.677 50 HE1 PHE 15 HE1 PHE 15 2.546 0.444 1.347 51 HE2 PHE 15 HE2 PHE 15 -1.497 -0.646 0.553 52 HZ PHE 15 HZ PHE 15 0.912 -1.125 0.387 53 H LEU 16 H LEU 16 -0.716 1.396 6.051 54 HA LEU 16 HA LEU 16 1.807 2.655 6.857 55 HB2 LEU 16 HB2 LEU 16 1.563 1.808 9.019 56 HB3 LEU 16 HB3 LEU 16 -0.053 2.341 8.593 57 HG LEU 16 HG LEU 16 0.963 -0.498 8.727 58 HD11 LEU 16 HD11 LEU 16 -1.106 1.051 10.283 59 HD12 LEU 16 HD12 LEU 16 0.432 0.422 10.880 60 HD13 LEU 16 HD13 LEU 16 -0.855 -0.693 10.416 61 HD21 LEU 16 HD21 LEU 16 -1.320 -1.176 8.148 62 HD22 LEU 16 HD22 LEU 16 -0.488 -0.348 6.832 63 HD23 LEU 16 HD23 LEU 16 -1.708 0.506 7.782 64 H VAL 17 H VAL 17 3.495 1.075 7.551 65 HA VAL 17 HA VAL 17 3.314 -1.476 6.208 66 HB VAL 17 HB VAL 17 4.047 -0.243 4.363 67 HG11 VAL 17 HG11 VAL 17 4.550 1.833 5.538 68 HG12 VAL 17 HG12 VAL 17 5.791 1.400 4.363 69 HG13 VAL 17 HG13 VAL 17 6.074 1.130 6.083 70 HG21 VAL 17 HG21 VAL 17 6.475 -1.334 5.735 71 HG22 VAL 17 HG22 VAL 17 6.386 -0.939 4.018 72 HG23 VAL 17 HG23 VAL 17 5.376 -2.224 4.683 73 H HIS 18 H HIS 18 4.270 -2.980 7.317 74 HA HIS 18 HA HIS 18 6.094 -2.387 9.473 75 HB2 HIS 18 HB2 HIS 18 4.445 -4.306 9.513 76 HB3 HIS 18 HB3 HIS 18 5.419 -5.090 8.269 77 HD1 HIS 18 HD1 HIS 18 6.745 -6.884 9.311 78 HD2 HIS 18 HD2 HIS 18 6.455 -3.566 11.791 79 HE1 HIS 18 HE1 HIS 18 8.097 -7.448 11.353 80 HE2 HIS 18 HE2 HIS 18 7.746 -5.502 12.913 81 H SER 19 H SER 19 8.025 -1.703 8.901 82 HA SER 19 HA SER 19 8.976 -1.454 6.388 83 HB2 SER 19 HB2 SER 19 9.785 -0.195 8.322 84 HB3 SER 19 HB3 SER 19 10.647 -1.621 8.895 85 HG SER 19 HG SER 19 11.280 -1.074 6.323 86 H SER 20 H SER 20 9.343 -4.394 8.249 87 HA SER 20 HA SER 20 11.802 -5.187 7.117 88 HB2 SER 20 HB2 SER 20 9.645 -6.944 8.297 89 HB3 SER 20 HB3 SER 20 11.352 -7.353 8.110 90 HG SER 20 HG SER 20 11.840 -5.642 9.554 91 H ASN 21 H ASN 21 8.474 -6.399 6.370 92 HA ASN 21 HA ASN 21 9.457 -6.873 3.654 93 HB2 ASN 21 HB2 ASN 21 8.210 -8.956 5.418 94 HB3 ASN 21 HB3 ASN 21 8.165 -9.085 3.665 95 HD21 ASN 21 HD21 ASN 21 10.146 -9.222 6.497 96 HD22 ASN 21 HD22 ASN 21 11.562 -9.850 5.733 97 H ASN 22 H ASN 22 6.714 -6.121 5.699 98 HA ASN 22 HA ASN 22 4.973 -6.466 3.351 99 HB2 ASN 22 HB2 ASN 22 4.622 -8.252 4.969 100 HB3 ASN 22 HB3 ASN 22 4.304 -7.066 6.230 101 HD21 ASN 22 HD21 ASN 22 3.182 -6.872 2.898 102 HD22 ASN 22 HD22 ASN 22 1.502 -6.996 3.280 103 H PHE 23 H PHE 23 3.801 -4.835 2.714 104 HA PHE 23 HA PHE 23 3.357 -2.530 4.434 105 HB2 PHE 23 HB2 PHE 23 2.231 -1.777 2.158 106 HB3 PHE 23 HB3 PHE 23 3.972 -1.697 2.373 107 HD1 PHE 23 HD1 PHE 23 5.428 -3.259 1.236 108 HD2 PHE 23 HD2 PHE 23 1.206 -3.404 0.640 109 HE1 PHE 23 HE1 PHE 23 5.753 -4.680 -0.744 110 HE2 PHE 23 HE2 PHE 23 1.535 -4.826 -1.329 111 HZ PHE 23 HZ PHE 23 3.805 -5.466 -2.026 112 H GLY 24 H GLY 24 1.232 -1.786 4.955 113 HA2 GLY 24 HA2 GLY 24 -0.898 -3.743 4.359 114 HA3 GLY 24 HA3 GLY 24 -0.580 -3.269 6.019 115 H ALA 25 H ALA 25 -2.814 -2.618 6.036 116 HA ALA 25 HA ALA 25 -3.144 0.118 5.127 117 HB1 ALA 25 HB1 ALA 25 -4.196 -1.048 3.343 118 HB2 ALA 25 HB2 ALA 25 -5.487 -0.437 4.381 119 HB3 ALA 25 HB3 ALA 25 -5.022 -2.143 4.461 120 H ILE 26 H ILE 26 -4.985 1.177 6.203 121 HA ILE 26 HA ILE 26 -6.132 -0.100 8.506 122 HB ILE 26 HB ILE 26 -4.000 0.376 9.482 123 HG12 ILE 26 HG12 ILE 26 -5.867 2.564 10.404 124 HG13 ILE 26 HG13 ILE 26 -6.152 0.864 10.766 125 HG21 ILE 26 HG21 ILE 26 -3.062 2.629 9.575 126 HG22 ILE 26 HG22 ILE 26 -4.390 3.224 8.584 127 HG23 ILE 26 HG23 ILE 26 -3.235 2.077 7.909 128 HD11 ILE 26 HD11 ILE 26 -3.773 0.916 11.717 129 HD12 ILE 26 HD12 ILE 26 -5.085 1.641 12.646 130 HD13 ILE 26 HD13 ILE 26 -3.984 2.666 11.724 131 H LEU 27 H LEU 27 -7.995 0.903 9.089 132 HA LEU 27 HA LEU 27 -8.791 3.189 7.517 133 HB2 LEU 27 HB2 LEU 27 -10.233 1.329 9.353 134 HB3 LEU 27 HB3 LEU 27 -10.962 2.846 8.868 135 HG LEU 27 HG LEU 27 -10.134 0.596 7.039 136 HD11 LEU 27 HD11 LEU 27 -12.130 0.126 8.285 137 HD12 LEU 27 HD12 LEU 27 -12.566 0.519 6.617 138 HD13 LEU 27 HD13 LEU 27 -12.778 1.721 7.898 139 HD21 LEU 27 HD21 LEU 27 -9.776 2.653 5.861 140 HD22 LEU 27 HD22 LEU 27 -11.299 3.318 6.449 141 HD23 LEU 27 HD23 LEU 27 -11.307 1.973 5.306 142 H SER 28 H SER 28 -9.755 5.022 8.396 143 HA SER 28 HA SER 28 -8.909 5.713 11.116 144 HB2 SER 28 HB2 SER 28 -7.166 6.443 9.405 145 HB3 SER 28 HB3 SER 28 -8.390 7.539 8.769 146 HG SER 28 HG SER 28 -7.237 7.527 11.356 147 H SER 29 H SER 29 -10.102 7.370 12.034 148 HA SER 29 HA SER 29 -12.740 7.677 10.771 149 HB2 SER 29 HB2 SER 29 -11.936 7.524 13.678 150 HB3 SER 29 HB3 SER 29 -13.560 7.925 13.134 151 HG SER 29 HG SER 29 -12.648 5.545 13.552 152 H THR 30 H THR 30 -10.506 9.302 12.976 153 HA THR 30 HA THR 30 -10.190 11.462 13.563 154 HB THR 30 HB THR 30 -10.123 13.109 11.637 155 HG1 THR 30 HG1 THR 30 -11.671 11.609 10.405 156 HG21 THR 30 HG21 THR 30 -8.577 10.527 11.409 157 HG22 THR 30 HG22 THR 30 -8.136 11.940 12.369 158 HG23 THR 30 HG23 THR 30 -8.148 12.038 10.608 159 H GLY 13 H GLY 13 15.643 -1.137 14.042 160 HA2 GLY 13 HA2 GLY 13 14.628 -1.709 11.921 161 HA3 GLY 13 HA3 GLY 13 15.166 -3.131 12.804 162 H GLY 14 H GLY 14 12.921 -2.450 10.786 163 HA2 GLY 14 HA2 GLY 14 10.907 -3.469 10.335 164 HA3 GLY 14 HA3 GLY 14 11.062 -4.345 11.851 165 H GLU 15 H GLU 15 10.772 -0.877 11.040 166 HA GLU 15 HA GLU 15 8.834 -0.587 13.189 167 HB2 GLU 15 HB2 GLU 15 9.063 1.808 12.779 168 HB3 GLU 15 HB3 GLU 15 10.645 1.060 12.950 169 HG2 GLU 15 HG2 GLU 15 10.738 0.972 10.434 170 HG3 GLU 15 HG3 GLU 15 9.306 1.979 10.434 171 H ILE 16 H ILE 16 6.733 0.246 12.866 172 HA ILE 16 HA ILE 16 5.672 -0.214 10.178 173 HB ILE 16 HB ILE 16 4.206 0.218 12.785 174 HG12 ILE 16 HG12 ILE 16 4.608 -2.305 11.170 175 HG13 ILE 16 HG13 ILE 16 5.505 -1.897 12.630 176 HG21 ILE 16 HG21 ILE 16 2.220 -0.523 11.541 177 HG22 ILE 16 HG22 ILE 16 3.176 -0.565 10.059 178 HG23 ILE 16 HG23 ILE 16 2.890 0.970 10.881 179 HD11 ILE 16 HD11 ILE 16 2.536 -2.310 12.457 180 HD12 ILE 16 HD12 ILE 16 3.457 -1.944 13.915 181 HD13 ILE 16 HD13 ILE 16 3.711 -3.471 13.071 182 H VAL 17 H VAL 17 5.855 1.536 8.944 183 HA VAL 17 HA VAL 17 5.377 4.146 10.168 184 HB VAL 17 HB VAL 17 6.198 4.974 7.842 185 HG11 VAL 17 HG11 VAL 17 8.166 3.667 9.728 186 HG12 VAL 17 HG12 VAL 17 7.330 5.187 10.065 187 HG13 VAL 17 HG13 VAL 17 8.439 5.078 8.699 188 HG21 VAL 17 HG21 VAL 17 7.328 2.185 7.887 189 HG22 VAL 17 HG22 VAL 17 7.888 3.491 6.836 190 HG23 VAL 17 HG23 VAL 17 6.241 2.878 6.682 191 H TYR 18 H TYR 18 3.595 5.146 9.919 192 HA TYR 18 HA TYR 18 1.600 4.341 7.974 193 HB2 TYR 18 HB2 TYR 18 1.569 6.503 10.094 194 HB3 TYR 18 HB3 TYR 18 0.203 6.080 9.076 195 HD1 TYR 18 HD1 TYR 18 -1.259 4.339 9.691 196 HD2 TYR 18 HD2 TYR 18 2.449 4.769 11.730 197 HE1 TYR 18 HE1 TYR 18 -2.015 2.744 11.379 198 HE2 TYR 18 HE2 TYR 18 1.705 3.149 13.424 199 HH TYR 18 HH TYR 18 -1.066 1.206 13.015 200 H LEU 19 H LEU 19 1.762 5.152 5.941 201 HA LEU 19 HA LEU 19 2.611 7.950 5.642 202 HB2 LEU 19 HB2 LEU 19 2.372 5.819 3.534 203 HB3 LEU 19 HB3 LEU 19 2.984 7.419 3.297 204 HG LEU 19 HG LEU 19 4.819 6.051 3.301 205 HD11 LEU 19 HD11 LEU 19 5.048 8.024 4.603 206 HD12 LEU 19 HD12 LEU 19 6.051 6.727 5.263 207 HD13 LEU 19 HD13 LEU 19 4.527 7.156 6.045 208 HD21 LEU 19 HD21 LEU 19 3.784 4.022 4.179 209 HD22 LEU 19 HD22 LEU 19 3.813 4.715 5.801 210 HD23 LEU 19 HD23 LEU 19 5.326 4.355 4.969 211 HA PRO 20 HA PRO 20 -1.883 8.144 4.787 212 HB2 PRO 20 HB2 PRO 20 -2.479 10.276 6.263 213 HB3 PRO 20 HB3 PRO 20 -2.155 8.710 7.019 214 HG2 PRO 20 HG2 PRO 20 -0.392 11.110 6.792 215 HG3 PRO 20 HG3 PRO 20 -0.582 9.982 8.144 216 HD2 PRO 20 HD2 PRO 20 1.461 9.916 6.238 217 HD3 PRO 20 HD3 PRO 20 1.013 8.585 7.323 218 H ASN 21 H ASN 21 0.648 10.447 4.267 219 HA ASN 21 HA ASN 21 -1.162 12.214 2.777 220 HB2 ASN 21 HB2 ASN 21 1.621 12.735 3.834 221 HB3 ASN 21 HB3 ASN 21 0.650 13.893 2.932 222 HD21 ASN 21 HD21 ASN 21 1.743 13.943 5.672 223 HD22 ASN 21 HD22 ASN 21 0.379 14.231 6.702 224 H LEU 22 H LEU 22 0.499 9.629 2.007 225 HA LEU 22 HA LEU 22 2.080 10.554 -0.190 226 HB2 LEU 22 HB2 LEU 22 0.938 7.836 0.440 227 HB3 LEU 22 HB3 LEU 22 1.954 8.161 -0.949 228 HG LEU 22 HG LEU 22 2.755 8.390 1.943 229 HD11 LEU 22 HD11 LEU 22 2.575 6.098 1.146 230 HD12 LEU 22 HD12 LEU 22 4.263 6.545 1.367 231 HD13 LEU 22 HD13 LEU 22 3.573 6.493 -0.252 232 HD21 LEU 22 HD21 LEU 22 4.380 8.889 -0.539 233 HD22 LEU 22 HD22 LEU 22 4.982 8.826 1.130 234 HD23 LEU 22 HD23 LEU 22 3.857 10.099 0.640 235 H ASN 23 H ASN 23 1.609 10.301 -2.392 236 HA ASN 23 HA ASN 23 -1.166 10.760 -3.063 237 HB2 ASN 23 HB2 ASN 23 1.227 10.415 -4.892 238 HB3 ASN 23 HB3 ASN 23 -0.370 10.976 -5.379 239 HD21 ASN 23 HD21 ASN 23 2.197 12.274 -5.650 240 HD22 ASN 23 HD22 ASN 23 2.069 13.788 -4.821 241 HA PRO 24 HA PRO 24 -2.447 6.546 -3.628 242 HB2 PRO 24 HB2 PRO 24 -3.543 7.625 -6.198 243 HB3 PRO 24 HB3 PRO 24 -4.318 6.584 -4.999 244 HG2 PRO 24 HG2 PRO 24 -4.889 9.175 -5.079 245 HG3 PRO 24 HG3 PRO 24 -4.704 8.341 -3.526 246 HD2 PRO 24 HD2 PRO 24 -2.862 10.242 -4.885 247 HD3 PRO 24 HD3 PRO 24 -3.129 9.965 -3.151 248 H ASP 25 H ASP 25 -1.341 8.192 -6.582 249 HA ASP 25 HA ASP 25 -0.433 5.966 -7.985 250 HB2 ASP 25 HB2 ASP 25 -0.623 8.045 -9.142 251 HB3 ASP 25 HB3 ASP 25 0.482 8.842 -8.026 252 H GLN 26 H GLN 26 1.244 7.982 -5.614 253 HA GLN 26 HA GLN 26 3.796 6.876 -6.076 254 HB2 GLN 26 HB2 GLN 26 2.685 8.417 -3.741 255 HB3 GLN 26 HB3 GLN 26 4.385 7.972 -3.910 256 HG2 GLN 26 HG2 GLN 26 2.840 9.599 -5.904 257 HG3 GLN 26 HG3 GLN 26 3.877 10.277 -4.652 258 HE21 GLN 26 HE21 GLN 26 3.729 8.601 -7.680 259 HE22 GLN 26 HE22 GLN 26 5.416 8.707 -8.052 260 H LEU 27 H LEU 27 1.168 5.912 -3.924 261 HA LEU 27 HA LEU 27 2.631 4.038 -2.422 262 HB2 LEU 27 HB2 LEU 27 -0.247 3.909 -3.347 263 HB3 LEU 27 HB3 LEU 27 0.469 2.825 -2.175 264 HG LEU 27 HG LEU 27 0.271 5.801 -1.783 265 HD11 LEU 27 HD11 LEU 27 -1.935 4.678 -1.958 266 HD12 LEU 27 HD12 LEU 27 -1.616 5.385 -0.375 267 HD13 LEU 27 HD13 LEU 27 -1.467 3.642 -0.610 268 HD21 LEU 27 HD21 LEU 27 2.041 4.730 -0.527 269 HD22 LEU 27 HD22 LEU 27 0.906 3.513 0.060 270 HD23 LEU 27 HD23 LEU 27 0.725 5.199 0.550 271 H CYS 28 H CYS 28 0.763 3.617 -5.408 272 HA CYS 28 HA CYS 28 1.543 0.989 -5.947 273 HB2 CYS 28 HB2 CYS 28 -0.274 2.261 -7.120 274 HB3 CYS 28 HB3 CYS 28 0.974 3.150 -7.986 275 H ALA 29 H ALA 29 3.079 4.075 -6.616 276 HA ALA 29 HA ALA 29 5.141 3.190 -8.293 277 HB1 ALA 29 HB1 ALA 29 6.258 5.266 -7.768 278 HB2 ALA 29 HB2 ALA 29 5.244 5.488 -6.342 279 HB3 ALA 29 HB3 ALA 29 4.529 5.562 -7.953 280 H PHE 30 H PHE 30 5.078 3.580 -4.732 281 HA PHE 30 HA PHE 30 7.759 2.695 -4.395 282 HB2 PHE 30 HB2 PHE 30 5.455 2.859 -2.453 283 HB3 PHE 30 HB3 PHE 30 7.083 2.375 -1.986 284 HD1 PHE 30 HD1 PHE 30 5.037 4.948 -1.601 285 HD2 PHE 30 HD2 PHE 30 8.810 4.162 -3.396 286 HE1 PHE 30 HE1 PHE 30 5.654 7.315 -1.336 287 HE2 PHE 30 HE2 PHE 30 9.436 6.523 -3.132 288 HZ PHE 30 HZ PHE 30 7.855 8.101 -2.102 289 H ILE 31 H ILE 31 4.637 1.069 -4.031 290 HA ILE 31 HA ILE 31 5.634 -1.443 -3.282 291 HB ILE 31 HB ILE 31 3.094 -0.779 -4.777 292 HG12 ILE 31 HG12 ILE 31 3.435 -1.291 -1.824 293 HG13 ILE 31 HG13 ILE 31 3.581 0.323 -2.511 294 HG21 ILE 31 HG21 ILE 31 3.637 -3.153 -4.949 295 HG22 ILE 31 HG22 ILE 31 2.251 -2.905 -3.886 296 HG23 ILE 31 HG23 ILE 31 3.839 -3.243 -3.197 297 HD11 ILE 31 HD11 ILE 31 1.152 -1.437 -2.710 298 HD12 ILE 31 HD12 ILE 31 1.302 0.221 -3.304 299 HD13 ILE 31 HD13 ILE 31 1.368 -0.107 -1.572 300 H HIS 32 H HIS 32 5.315 0.103 -6.351 301 HA HIS 32 HA HIS 32 5.837 -2.134 -8.006 302 HB2 HIS 32 HB2 HIS 32 4.846 0.023 -8.792 303 HB3 HIS 32 HB3 HIS 32 6.408 0.790 -8.551 304 HD1 HIS 32 HD1 HIS 32 4.461 -1.204 -10.952 305 HD2 HIS 32 HD2 HIS 32 8.418 -0.037 -10.434 306 HE1 HIS 32 HE1 HIS 32 5.582 -1.610 -13.166 307 HE2 HIS 32 HE2 HIS 32 8.003 -1.034 -12.783 308 H SER 33 H SER 33 7.897 0.372 -6.585 309 HA SER 33 HA SER 33 10.266 -0.751 -7.736 310 HB2 SER 33 HB2 SER 33 11.392 0.919 -6.140 311 HB3 SER 33 HB3 SER 33 10.362 1.575 -7.411 312 HG SER 33 HG SER 33 9.308 1.007 -4.855 313 H ILE 34 H ILE 34 8.452 -1.395 -4.850 314 HA ILE 34 HA ILE 34 10.569 -2.529 -3.337 315 HB ILE 34 HB ILE 34 7.638 -3.282 -3.301 316 HG12 ILE 34 HG12 ILE 34 8.086 -0.921 -2.679 317 HG13 ILE 34 HG13 ILE 34 7.519 -1.859 -1.304 318 HG21 ILE 34 HG21 ILE 34 9.834 -3.906 -1.315 319 HG22 ILE 34 HG22 ILE 34 9.087 -5.053 -2.425 320 HG23 ILE 34 HG23 ILE 34 8.126 -4.317 -1.138 321 HD11 ILE 34 HD11 ILE 34 9.810 -2.046 -0.485 322 HD12 ILE 34 HD12 ILE 34 9.325 -0.361 -0.673 323 HD13 ILE 34 HD13 ILE 34 10.383 -1.113 -1.868 324 H HIS 35 H HIS 35 8.056 -4.086 -5.320 325 HA HIS 35 HA HIS 35 8.986 -6.658 -4.895 326 HB2 HIS 35 HB2 HIS 35 7.649 -7.321 -6.785 327 HB3 HIS 35 HB3 HIS 35 6.752 -6.243 -5.728 328 HD1 HIS 35 HD1 HIS 35 5.745 -4.202 -6.864 329 HD2 HIS 35 HD2 HIS 35 8.286 -6.370 -9.338 330 HE1 HIS 35 HE1 HIS 35 5.260 -3.415 -9.212 331 HE2 HIS 35 HE2 HIS 35 6.934 -4.609 -10.659 332 H ASP 36 H ASP 36 9.594 -4.495 -7.542 333 HA ASP 36 HA ASP 36 11.375 -6.406 -8.783 334 HB2 ASP 36 HB2 ASP 36 9.621 -5.120 -9.985 335 HB3 ASP 36 HB3 ASP 36 10.582 -3.663 -9.726 336 H ASP 37 H ASP 37 11.778 -4.085 -6.435 337 HA ASP 37 HA ASP 37 14.651 -4.230 -6.865 338 HB2 ASP 37 HB2 ASP 37 13.569 -1.971 -7.784 339 HB3 ASP 37 HB3 ASP 37 13.646 -1.516 -6.075 340 HA PRO 38 HA PRO 38 12.816 -4.604 -2.585 341 HB2 PRO 38 HB2 PRO 38 13.356 -7.161 -2.027 342 HB3 PRO 38 HB3 PRO 38 11.991 -6.710 -3.050 343 HG2 PRO 38 HG2 PRO 38 14.701 -7.702 -3.855 344 HG3 PRO 38 HG3 PRO 38 13.110 -8.166 -4.483 345 HD2 PRO 38 HD2 PRO 38 14.766 -6.365 -5.714 346 HD3 PRO 38 HD3 PRO 38 13.001 -6.354 -5.882 347 H SER 39 H SER 39 15.945 -5.092 -3.871 348 HA SER 39 HA SER 39 17.311 -5.459 -1.392 349 HB2 SER 39 HB2 SER 39 18.408 -4.345 -3.982 350 HB3 SER 39 HB3 SER 39 19.332 -5.064 -2.662 351 HG SER 39 HG SER 39 18.042 -6.267 -4.728 352 H GLN 40 H GLN 40 16.203 -2.729 -3.261 353 HA GLN 40 HA GLN 40 17.451 -0.818 -1.489 354 HB2 GLN 40 HB2 GLN 40 15.520 -0.349 -3.752 355 HB3 GLN 40 HB3 GLN 40 16.516 0.854 -2.954 356 HG2 GLN 40 HG2 GLN 40 18.495 -0.488 -3.745 357 HG3 GLN 40 HG3 GLN 40 17.364 -1.358 -4.770 358 HE21 GLN 40 HE21 GLN 40 19.616 0.403 -5.466 359 HE22 GLN 40 HE22 GLN 40 18.943 1.625 -6.484 360 H SER 41 H SER 41 14.753 -2.703 -1.281 361 HA SER 41 HA SER 41 12.503 -1.310 -0.920 362 HB2 SER 41 HB2 SER 41 12.702 -3.739 -0.607 363 HB3 SER 41 HB3 SER 41 13.462 -3.473 0.961 364 HG SER 41 HG SER 41 11.359 -3.786 1.420 365 H ALA 42 H ALA 42 15.001 -1.554 1.623 366 HA ALA 42 HA ALA 42 13.673 -0.209 3.672 367 HB1 ALA 42 HB1 ALA 42 15.846 -1.411 3.856 368 HB2 ALA 42 HB2 ALA 42 15.826 0.171 4.636 369 HB3 ALA 42 HB3 ALA 42 16.607 -0.027 3.063 370 H ASN 43 H ASN 43 15.490 1.012 0.971 371 HA ASN 43 HA ASN 43 15.332 3.768 1.777 372 HB2 ASN 43 HB2 ASN 43 17.248 3.022 0.473 373 HB3 ASN 43 HB3 ASN 43 16.187 2.498 -0.832 374 HD21 ASN 43 HD21 ASN 43 17.509 5.256 0.849 375 HD22 ASN 43 HD22 ASN 43 17.156 6.421 -0.381 376 H LEU 44 H LEU 44 13.601 1.615 -0.425 377 HA LEU 44 HA LEU 44 12.155 3.613 -1.768 378 HB2 LEU 44 HB2 LEU 44 11.693 0.690 -1.363 379 HB3 LEU 44 HB3 LEU 44 10.411 1.671 -2.042 380 HG LEU 44 HG LEU 44 11.396 0.959 -3.979 381 HD11 LEU 44 HD11 LEU 44 13.253 3.246 -3.373 382 HD12 LEU 44 HD12 LEU 44 11.563 3.446 -3.839 383 HD13 LEU 44 HD13 LEU 44 12.705 2.685 -4.954 384 HD21 LEU 44 HD21 LEU 44 13.775 0.512 -4.278 385 HD22 LEU 44 HD22 LEU 44 13.082 -0.422 -2.954 386 HD23 LEU 44 HD23 LEU 44 14.073 0.996 -2.609 387 H LEU 45 H LEU 45 11.458 1.925 1.294 388 HA LEU 45 HA LEU 45 8.969 3.433 1.465 389 HB2 LEU 45 HB2 LEU 45 8.291 2.112 3.187 390 HB3 LEU 45 HB3 LEU 45 9.369 1.009 2.364 391 HG LEU 45 HG LEU 45 10.387 2.649 4.656 392 HD11 LEU 45 HD11 LEU 45 8.335 1.622 5.466 393 HD12 LEU 45 HD12 LEU 45 9.746 0.827 6.168 394 HD13 LEU 45 HD13 LEU 45 8.862 0.054 4.850 395 HD21 LEU 45 HD21 LEU 45 11.989 1.386 3.328 396 HD22 LEU 45 HD22 LEU 45 11.051 -0.087 3.578 397 HD23 LEU 45 HD23 LEU 45 11.839 0.699 4.945 398 H ALA 46 H ALA 46 12.222 3.782 2.366 399 HA ALA 46 HA ALA 46 12.015 5.671 4.451 400 HB1 ALA 46 HB1 ALA 46 14.145 4.633 3.714 401 HB2 ALA 46 HB2 ALA 46 14.233 6.393 3.786 402 HB3 ALA 46 HB3 ALA 46 14.055 5.583 2.225 403 H GLU 47 H GLU 47 12.016 5.941 0.958 404 HA GLU 47 HA GLU 47 11.760 8.702 0.666 405 HB2 GLU 47 HB2 GLU 47 10.516 6.534 -1.039 406 HB3 GLU 47 HB3 GLU 47 10.852 8.192 -1.535 407 HG2 GLU 47 HG2 GLU 47 12.946 6.240 -0.651 408 HG3 GLU 47 HG3 GLU 47 12.471 6.503 -2.334 409 H ALA 48 H ALA 48 9.345 6.176 1.036 410 HA ALA 48 HA ALA 48 7.030 7.665 0.783 411 HB1 ALA 48 HB1 ALA 48 7.384 5.407 2.740 412 HB2 ALA 48 HB2 ALA 48 7.246 5.173 0.998 413 HB3 ALA 48 HB3 ALA 48 5.912 5.893 1.898 414 H LYS 49 H LYS 49 9.026 7.139 3.669 415 HA LYS 49 HA LYS 49 7.433 8.562 5.505 416 HB2 LYS 49 HB2 LYS 49 10.439 8.274 5.521 417 HB3 LYS 49 HB3 LYS 49 9.433 8.683 6.895 418 HG2 LYS 49 HG2 LYS 49 8.445 6.487 6.851 419 HG3 LYS 49 HG3 LYS 49 9.371 6.057 5.415 420 HD2 LYS 49 HD2 LYS 49 11.432 6.676 6.839 421 HD3 LYS 49 HD3 LYS 49 10.337 6.543 8.215 422 HE2 LYS 49 HE2 LYS 49 9.802 4.237 7.533 423 HE3 LYS 49 HE3 LYS 49 10.947 4.384 6.201 424 HZ1 LYS 49 HZ1 LYS 49 12.081 3.303 7.935 425 HZ2 LYS 49 HZ2 LYS 49 11.524 4.390 9.109 426 HZ3 LYS 49 HZ3 LYS 49 12.658 4.895 7.953 427 H LYS 50 H LYS 50 10.024 9.573 3.342 428 HA LYS 50 HA LYS 50 10.156 12.277 4.206 429 HB2 LYS 50 HB2 LYS 50 12.004 11.298 3.002 430 HB3 LYS 50 HB3 LYS 50 10.971 10.915 1.633 431 HG2 LYS 50 HG2 LYS 50 10.631 13.387 1.331 432 HG3 LYS 50 HG3 LYS 50 11.896 13.629 2.539 433 HD2 LYS 50 HD2 LYS 50 13.451 12.335 1.152 434 HD3 LYS 50 HD3 LYS 50 12.187 12.123 -0.058 435 HE2 LYS 50 HE2 LYS 50 13.621 13.902 -0.769 436 HE3 LYS 50 HE3 LYS 50 12.073 14.593 -0.288 437 HZ1 LYS 50 HZ1 LYS 50 13.964 15.873 0.540 438 HZ2 LYS 50 HZ2 LYS 50 14.506 14.528 1.408 439 HZ3 LYS 50 HZ3 LYS 50 13.033 15.250 1.806 440 H LEU 51 H LEU 51 8.475 10.615 1.595 441 HA LEU 51 HA LEU 51 7.488 12.861 0.264 442 HB2 LEU 51 HB2 LEU 51 7.100 9.970 0.232 443 HB3 LEU 51 HB3 LEU 51 5.690 10.870 -0.256 444 HG LEU 51 HG LEU 51 7.310 12.076 -1.873 445 HD11 LEU 51 HD11 LEU 51 9.404 11.225 -1.022 446 HD12 LEU 51 HD12 LEU 51 9.155 10.631 -2.663 447 HD13 LEU 51 HD13 LEU 51 8.881 9.562 -1.289 448 HD21 LEU 51 HD21 LEU 51 7.029 10.091 -3.479 449 HD22 LEU 51 HD22 LEU 51 5.588 10.835 -2.790 450 HD23 LEU 51 HD23 LEU 51 6.192 9.316 -2.128 451 H ASN 52 H ASN 52 5.907 10.735 2.690 452 HA ASN 52 HA ASN 52 3.414 12.052 2.534 453 HB2 ASN 52 HB2 ASN 52 2.711 10.738 4.326 454 HB3 ASN 52 HB3 ASN 52 3.975 9.756 3.597 455 HD21 ASN 52 HD21 ASN 52 3.030 11.633 6.347 456 HD22 ASN 52 HD22 ASN 52 4.346 11.172 7.367 457 H ASP 53 H ASP 53 6.336 12.854 4.201 458 HA ASP 53 HA ASP 53 5.066 14.809 5.907 459 HB2 ASP 53 HB2 ASP 53 7.106 13.757 6.696 460 HB3 ASP 53 HB3 ASP 53 7.980 14.304 5.269 461 H ALA 54 H ALA 54 6.903 14.767 2.904 462 HA ALA 54 HA ALA 54 7.028 17.597 2.612 463 HB1 ALA 54 HB1 ALA 54 8.625 16.071 1.539 464 HB2 ALA 54 HB2 ALA 54 7.841 17.134 0.372 465 HB3 ALA 54 HB3 ALA 54 7.331 15.452 0.513 466 H GLN 55 H GLN 55 4.696 15.159 1.775 467 HA GLN 55 HA GLN 55 3.154 17.020 0.153 468 HB2 GLN 55 HB2 GLN 55 2.725 14.119 0.865 469 HB3 GLN 55 HB3 GLN 55 1.586 15.063 -0.082 470 HG2 GLN 55 HG2 GLN 55 4.445 14.507 -0.838 471 HG3 GLN 55 HG3 GLN 55 3.028 13.676 -1.480 472 HE21 GLN 55 HE21 GLN 55 1.620 14.792 -2.848 473 HE22 GLN 55 HE22 GLN 55 2.108 16.237 -3.669 474 H ALA 56 H ALA 56 3.601 16.946 3.242 475 HA ALA 56 HA ALA 56 0.806 17.101 4.076 476 HB1 ALA 56 HB1 ALA 56 2.055 15.848 5.597 477 HB2 ALA 56 HB2 ALA 56 1.994 17.448 6.344 478 HB3 ALA 56 HB3 ALA 56 3.441 16.929 5.471 479 H GLY 13 H GLY 13 -13.113 0.079 11.205 480 HA2 GLY 13 HA2 GLY 13 -13.525 2.395 10.675 481 HA3 GLY 13 HA3 GLY 13 -14.463 2.551 12.152 482 H GLY 14 H GLY 14 -11.273 1.265 11.209 483 HA2 GLY 14 HA2 GLY 14 -9.368 2.750 12.017 484 HA3 GLY 14 HA3 GLY 14 -10.148 2.611 13.591 485 H GLU 15 H GLU 15 -10.349 -0.121 11.579 486 HA GLU 15 HA GLU 15 -8.527 -1.603 13.260 487 HB2 GLU 15 HB2 GLU 15 -9.248 -3.535 11.850 488 HB3 GLU 15 HB3 GLU 15 -10.553 -2.722 12.675 489 HG2 GLU 15 HG2 GLU 15 -9.863 -2.078 9.864 490 HG3 GLU 15 HG3 GLU 15 -10.875 -3.458 10.247 491 H ILE 16 H ILE 16 -6.920 -3.019 12.280 492 HA ILE 16 HA ILE 16 -5.483 -1.576 10.159 493 HB ILE 16 HB ILE 16 -4.354 -3.726 11.956 494 HG12 ILE 16 HG12 ILE 16 -4.454 -0.732 12.295 495 HG13 ILE 16 HG13 ILE 16 -4.950 -1.970 13.439 496 HG21 ILE 16 HG21 ILE 16 -2.208 -2.891 11.205 497 HG22 ILE 16 HG22 ILE 16 -3.001 -1.627 10.263 498 HG23 ILE 16 HG23 ILE 16 -3.204 -3.320 9.811 499 HD11 ILE 16 HD11 ILE 16 -2.124 -1.363 12.602 500 HD12 ILE 16 HD12 ILE 16 -2.615 -2.619 13.743 501 HD13 ILE 16 HD13 ILE 16 -2.881 -0.919 14.133 502 H VAL 17 H VAL 17 -5.251 -2.469 8.189 503 HA VAL 17 HA VAL 17 -6.272 -5.227 7.889 504 HB VAL 17 HB VAL 17 -6.587 -2.981 5.888 505 HG11 VAL 17 HG11 VAL 17 -6.851 -4.990 4.751 506 HG12 VAL 17 HG12 VAL 17 -8.498 -4.483 5.121 507 HG13 VAL 17 HG13 VAL 17 -7.725 -5.742 6.082 508 HG21 VAL 17 HG21 VAL 17 -8.547 -3.893 7.968 509 HG22 VAL 17 HG22 VAL 17 -8.926 -2.834 6.609 510 HG23 VAL 17 HG23 VAL 17 -7.777 -2.310 7.839 511 H TYR 18 H TYR 18 -4.163 -6.113 7.900 512 HA TYR 18 HA TYR 18 -2.209 -5.108 5.984 513 HB2 TYR 18 HB2 TYR 18 -2.125 -6.828 8.371 514 HB3 TYR 18 HB3 TYR 18 -1.056 -7.332 7.068 515 HD1 TYR 18 HD1 TYR 18 0.873 -6.033 6.475 516 HD2 TYR 18 HD2 TYR 18 -1.807 -4.652 9.466 517 HE1 TYR 18 HE1 TYR 18 2.534 -4.364 7.180 518 HE2 TYR 18 HE2 TYR 18 -0.159 -2.974 10.177 519 HH TYR 18 HH TYR 18 2.284 -2.651 10.083 520 H LEU 19 H LEU 19 -1.965 -5.909 4.021 521 HA LEU 19 HA LEU 19 -3.028 -8.590 3.460 522 HB2 LEU 19 HB2 LEU 19 -3.446 -6.032 1.931 523 HB3 LEU 19 HB3 LEU 19 -3.546 -7.578 1.120 524 HG LEU 19 HG LEU 19 -5.347 -8.249 2.683 525 HD11 LEU 19 HD11 LEU 19 -6.421 -6.631 4.064 526 HD12 LEU 19 HD12 LEU 19 -5.291 -5.371 3.557 527 HD13 LEU 19 HD13 LEU 19 -4.726 -6.733 4.527 528 HD21 LEU 19 HD21 LEU 19 -5.897 -7.369 0.527 529 HD22 LEU 19 HD22 LEU 19 -5.758 -5.713 1.135 530 HD23 LEU 19 HD23 LEU 19 -7.048 -6.769 1.726 531 HA PRO 20 HA PRO 20 1.375 -8.432 2.179 532 HB2 PRO 20 HB2 PRO 20 2.051 -10.858 3.112 533 HB3 PRO 20 HB3 PRO 20 1.924 -9.450 4.173 534 HG2 PRO 20 HG2 PRO 20 -0.033 -11.669 3.725 535 HG3 PRO 20 HG3 PRO 20 0.455 -10.896 5.245 536 HD2 PRO 20 HD2 PRO 20 -1.844 -10.285 3.900 537 HD3 PRO 20 HD3 PRO 20 -0.991 -9.144 4.957 538 H ASN 21 H ASN 21 -1.277 -10.367 1.271 539 HA ASN 21 HA ASN 21 0.357 -12.004 -0.528 540 HB2 ASN 21 HB2 ASN 21 -2.566 -12.257 0.195 541 HB3 ASN 21 HB3 ASN 21 -1.670 -13.363 -0.841 542 HD21 ASN 21 HD21 ASN 21 -3.063 -13.856 1.661 543 HD22 ASN 21 HD22 ASN 21 -1.886 -14.533 2.737 544 H LEU 22 H LEU 22 -1.454 -9.177 -0.597 545 HA LEU 22 HA LEU 22 -2.605 -9.344 -3.162 546 HB2 LEU 22 HB2 LEU 22 -1.770 -7.027 -1.464 547 HB3 LEU 22 HB3 LEU 22 -2.405 -6.800 -3.080 548 HG LEU 22 HG LEU 22 -3.864 -8.038 -0.746 549 HD11 LEU 22 HD11 LEU 22 -5.221 -6.088 -0.820 550 HD12 LEU 22 HD12 LEU 22 -4.446 -5.524 -2.293 551 HD13 LEU 22 HD13 LEU 22 -3.546 -5.553 -0.776 552 HD21 LEU 22 HD21 LEU 22 -4.725 -7.648 -3.610 553 HD22 LEU 22 HD22 LEU 22 -5.802 -8.057 -2.275 554 HD23 LEU 22 HD23 LEU 22 -4.525 -9.177 -2.751 555 H ASN 23 H ASN 23 -1.782 -9.278 -5.093 556 HA ASN 23 HA ASN 23 1.005 -8.674 -5.488 557 HB2 ASN 23 HB2 ASN 23 0.398 -9.118 -7.940 558 HB3 ASN 23 HB3 ASN 23 0.284 -10.471 -6.824 559 HD21 ASN 23 HD21 ASN 23 -0.969 -10.271 -9.345 560 HD22 ASN 23 HD22 ASN 23 -2.678 -10.303 -9.095 561 HA PRO 24 HA PRO 24 1.067 -4.456 -5.652 562 HB2 PRO 24 HB2 PRO 24 2.294 -4.724 -8.364 563 HB3 PRO 24 HB3 PRO 24 2.804 -3.729 -6.996 564 HG2 PRO 24 HG2 PRO 24 4.031 -6.024 -7.513 565 HG3 PRO 24 HG3 PRO 24 3.692 -5.537 -5.842 566 HD2 PRO 24 HD2 PRO 24 2.396 -7.628 -7.502 567 HD3 PRO 24 HD3 PRO 24 2.594 -7.540 -5.743 568 H ASP 25 H ASP 25 0.411 -5.358 -9.075 569 HA ASP 25 HA ASP 25 -0.801 -2.889 -9.635 570 HB2 ASP 25 HB2 ASP 25 0.106 -4.364 -11.382 571 HB3 ASP 25 HB3 ASP 25 -1.204 -5.506 -11.092 572 H GLN 26 H GLN 26 -2.212 -5.936 -8.586 573 HA GLN 26 HA GLN 26 -4.903 -5.221 -8.863 574 HB2 GLN 26 HB2 GLN 26 -3.415 -7.239 -7.230 575 HB3 GLN 26 HB3 GLN 26 -5.137 -6.991 -6.954 576 HG2 GLN 26 HG2 GLN 26 -4.734 -8.841 -8.478 577 HG3 GLN 26 HG3 GLN 26 -5.607 -7.533 -9.257 578 HE21 GLN 26 HE21 GLN 26 -5.037 -8.242 -11.294 579 HE22 GLN 26 HE22 GLN 26 -3.440 -8.048 -11.928 580 H LEU 27 H LEU 27 -2.676 -4.862 -6.090 581 HA LEU 27 HA LEU 27 -4.745 -3.790 -4.442 582 HB2 LEU 27 HB2 LEU 27 -2.959 -3.220 -2.844 583 HB3 LEU 27 HB3 LEU 27 -2.953 -4.894 -3.338 584 HG LEU 27 HG LEU 27 -1.085 -4.183 -4.978 585 HD11 LEU 27 HD11 LEU 27 -0.907 -1.926 -2.995 586 HD12 LEU 27 HD12 LEU 27 -1.393 -1.768 -4.684 587 HD13 LEU 27 HD13 LEU 27 0.242 -2.293 -4.284 588 HD21 LEU 27 HD21 LEU 27 0.594 -4.605 -3.296 589 HD22 LEU 27 HD22 LEU 27 -0.809 -5.634 -2.993 590 HD23 LEU 27 HD23 LEU 27 -0.536 -4.187 -2.007 591 H CYS 28 H CYS 28 -2.605 -2.449 -6.781 592 HA CYS 28 HA CYS 28 -2.639 0.253 -6.070 593 HB2 CYS 28 HB2 CYS 28 -2.724 -0.981 -8.833 594 HB3 CYS 28 HB3 CYS 28 -2.367 0.707 -8.500 595 H ALA 29 H ALA 29 -5.055 -1.744 -7.643 596 HA ALA 29 HA ALA 29 -6.739 0.310 -8.575 597 HB1 ALA 29 HB1 ALA 29 -8.436 -1.432 -8.781 598 HB2 ALA 29 HB2 ALA 29 -7.448 -2.518 -7.805 599 HB3 ALA 29 HB3 ALA 29 -6.877 -1.989 -9.388 600 H PHE 30 H PHE 30 -6.682 -1.513 -5.539 601 HA PHE 30 HA PHE 30 -9.079 -0.371 -4.526 602 HB2 PHE 30 HB2 PHE 30 -6.824 -1.788 -3.099 603 HB3 PHE 30 HB3 PHE 30 -8.358 -1.346 -2.353 604 HD1 PHE 30 HD1 PHE 30 -10.488 -2.277 -3.389 605 HD2 PHE 30 HD2 PHE 30 -6.613 -3.791 -4.256 606 HE1 PHE 30 HE1 PHE 30 -11.490 -4.364 -4.212 607 HE2 PHE 30 HE2 PHE 30 -7.603 -5.881 -5.079 608 HZ PHE 30 HZ PHE 30 -10.049 -6.172 -5.060 609 H ILE 31 H ILE 31 -5.671 0.456 -4.241 610 HA ILE 31 HA ILE 31 -5.887 2.512 -2.359 611 HB ILE 31 HB ILE 31 -4.037 2.223 -4.728 612 HG12 ILE 31 HG12 ILE 31 -3.681 1.741 -1.757 613 HG13 ILE 31 HG13 ILE 31 -3.781 0.502 -3.019 614 HG21 ILE 31 HG21 ILE 31 -4.229 4.579 -4.169 615 HG22 ILE 31 HG22 ILE 31 -2.648 3.956 -3.700 616 HG23 ILE 31 HG23 ILE 31 -3.890 4.220 -2.475 617 HD11 ILE 31 HD11 ILE 31 -1.582 2.520 -2.612 618 HD12 ILE 31 HD12 ILE 31 -1.700 1.430 -3.998 619 HD13 ILE 31 HD13 ILE 31 -1.499 0.772 -2.373 620 H HIS 32 H HIS 32 -6.148 2.623 -5.903 621 HA HIS 32 HA HIS 32 -6.907 5.336 -6.065 622 HB2 HIS 32 HB2 HIS 32 -7.156 2.987 -7.898 623 HB3 HIS 32 HB3 HIS 32 -8.049 4.454 -8.272 624 HD1 HIS 32 HD1 HIS 32 -5.761 3.398 -10.083 625 HD2 HIS 32 HD2 HIS 32 -5.320 6.308 -7.153 626 HE1 HIS 32 HE1 HIS 32 -3.764 4.751 -10.776 627 HE2 HIS 32 HE2 HIS 32 -3.628 6.610 -9.085 628 H SER 33 H SER 33 -8.731 2.422 -5.422 629 HA SER 33 HA SER 33 -11.295 3.445 -5.982 630 HB2 SER 33 HB2 SER 33 -10.479 1.201 -4.133 631 HB3 SER 33 HB3 SER 33 -12.128 1.523 -4.671 632 HG SER 33 HG SER 33 -9.970 1.061 -6.458 633 H ILE 34 H ILE 34 -9.323 3.532 -3.050 634 HA ILE 34 HA ILE 34 -11.351 4.532 -1.332 635 HB ILE 34 HB ILE 34 -8.368 5.013 -1.169 636 HG12 ILE 34 HG12 ILE 34 -8.960 2.615 -1.194 637 HG13 ILE 34 HG13 ILE 34 -8.310 3.114 0.366 638 HG21 ILE 34 HG21 ILE 34 -8.784 5.429 1.219 639 HG22 ILE 34 HG22 ILE 34 -10.518 5.270 0.933 640 HG23 ILE 34 HG23 ILE 34 -9.620 6.589 0.187 641 HD11 ILE 34 HD11 ILE 34 -10.198 1.607 0.613 642 HD12 ILE 34 HD12 ILE 34 -11.213 2.722 -0.297 643 HD13 ILE 34 HD13 ILE 34 -10.567 3.200 1.271 644 H HIS 35 H HIS 35 -9.116 5.989 -3.558 645 HA HIS 35 HA HIS 35 -9.688 8.698 -2.867 646 HB2 HIS 35 HB2 HIS 35 -7.582 7.956 -3.975 647 HB3 HIS 35 HB3 HIS 35 -8.506 7.590 -5.425 648 HD1 HIS 35 HD1 HIS 35 -7.032 10.410 -3.494 649 HD2 HIS 35 HD2 HIS 35 -9.340 9.845 -6.904 650 HE1 HIS 35 HE1 HIS 35 -6.978 12.602 -4.718 651 HE2 HIS 35 HE2 HIS 35 -8.238 12.185 -6.854 652 H ASP 36 H ASP 36 -10.919 6.396 -5.219 653 HA ASP 36 HA ASP 36 -12.559 8.328 -6.568 654 HB2 ASP 36 HB2 ASP 36 -12.212 5.362 -6.780 655 HB3 ASP 36 HB3 ASP 36 -13.582 6.141 -7.559 656 H ASP 37 H ASP 37 -12.968 6.219 -3.875 657 HA ASP 37 HA ASP 37 -15.617 7.238 -3.388 658 HB2 ASP 37 HB2 ASP 37 -15.840 5.217 -4.979 659 HB3 ASP 37 HB3 ASP 37 -15.377 4.239 -3.587 660 HA PRO 38 HA PRO 38 -13.140 6.358 0.427 661 HB2 PRO 38 HB2 PRO 38 -13.890 8.656 1.667 662 HB3 PRO 38 HB3 PRO 38 -12.505 8.556 0.579 663 HG2 PRO 38 HG2 PRO 38 -15.295 9.496 0.003 664 HG3 PRO 38 HG3 PRO 38 -13.751 10.237 -0.461 665 HD2 PRO 38 HD2 PRO 38 -15.165 8.758 -2.199 666 HD3 PRO 38 HD3 PRO 38 -13.393 8.710 -2.173 667 H SER 39 H SER 39 -16.426 6.685 -0.371 668 HA SER 39 HA SER 39 -17.466 6.423 2.300 669 HB2 SER 39 HB2 SER 39 -18.760 7.491 0.450 670 HB3 SER 39 HB3 SER 39 -18.852 5.923 -0.346 671 HG SER 39 HG SER 39 -20.725 6.317 0.858 672 H GLN 40 H GLN 40 -16.912 4.321 -0.482 673 HA GLN 40 HA GLN 40 -17.679 1.922 0.897 674 HB2 GLN 40 HB2 GLN 40 -16.130 2.273 -1.672 675 HB3 GLN 40 HB3 GLN 40 -16.919 0.799 -1.123 676 HG2 GLN 40 HG2 GLN 40 -18.403 3.345 -1.610 677 HG3 GLN 40 HG3 GLN 40 -18.119 2.159 -2.868 678 HE21 GLN 40 HE21 GLN 40 -20.609 3.099 -1.659 679 HE22 GLN 40 HE22 GLN 40 -21.406 1.692 -1.043 680 H SER 41 H SER 41 -15.197 3.868 1.429 681 HA SER 41 HA SER 41 -12.765 2.863 1.137 682 HB2 SER 41 HB2 SER 41 -13.337 4.856 2.493 683 HB3 SER 41 HB3 SER 41 -13.798 3.794 3.820 684 HG SER 41 HG SER 41 -11.597 4.697 3.837 685 H ALA 42 H ALA 42 -14.539 1.869 4.092 686 HA ALA 42 HA ALA 42 -12.847 -0.175 4.882 687 HB1 ALA 42 HB1 ALA 42 -14.670 0.787 6.228 688 HB2 ALA 42 HB2 ALA 42 -14.690 -0.978 6.218 689 HB3 ALA 42 HB3 ALA 42 -15.832 -0.077 5.213 690 H ASN 43 H ASN 43 -15.483 -0.228 2.629 691 HA ASN 43 HA ASN 43 -15.646 -3.045 2.338 692 HB2 ASN 43 HB2 ASN 43 -17.568 -1.717 1.819 693 HB3 ASN 43 HB3 ASN 43 -16.669 -0.767 0.644 694 HD21 ASN 43 HD21 ASN 43 -18.254 -3.782 1.286 695 HD22 ASN 43 HD22 ASN 43 -18.284 -4.348 -0.350 696 H LEU 44 H LEU 44 -13.843 -0.506 0.649 697 HA LEU 44 HA LEU 44 -12.839 -2.214 -1.386 698 HB2 LEU 44 HB2 LEU 44 -11.781 0.341 -0.199 699 HB3 LEU 44 HB3 LEU 44 -10.881 -0.547 -1.408 700 HG LEU 44 HG LEU 44 -11.907 0.880 -2.807 701 HD11 LEU 44 HD11 LEU 44 -14.180 -1.037 -2.381 702 HD12 LEU 44 HD12 LEU 44 -12.821 -1.243 -3.487 703 HD13 LEU 44 HD13 LEU 44 -13.995 0.050 -3.758 704 HD21 LEU 44 HD21 LEU 44 -14.083 1.976 -2.377 705 HD22 LEU 44 HD22 LEU 44 -12.862 2.286 -1.143 706 HD23 LEU 44 HD23 LEU 44 -14.156 1.129 -0.832 707 H LEU 45 H LEU 45 -11.894 -1.548 1.935 708 HA LEU 45 HA LEU 45 -9.463 -3.013 1.822 709 HB2 LEU 45 HB2 LEU 45 -11.182 -1.867 3.981 710 HB3 LEU 45 HB3 LEU 45 -9.974 -3.034 4.397 711 HG LEU 45 HG LEU 45 -8.811 -1.117 4.752 712 HD11 LEU 45 HD11 LEU 45 -8.343 -1.486 1.812 713 HD12 LEU 45 HD12 LEU 45 -7.684 -2.540 3.064 714 HD13 LEU 45 HD13 LEU 45 -7.217 -0.838 3.007 715 HD21 LEU 45 HD21 LEU 45 -9.054 0.902 3.434 716 HD22 LEU 45 HD22 LEU 45 -10.611 0.335 4.038 717 HD23 LEU 45 HD23 LEU 45 -10.171 0.066 2.355 718 H ALA 46 H ALA 46 -12.771 -3.742 2.776 719 HA ALA 46 HA ALA 46 -12.330 -6.406 3.594 720 HB1 ALA 46 HB1 ALA 46 -14.829 -5.139 2.472 721 HB2 ALA 46 HB2 ALA 46 -14.348 -5.160 4.169 722 HB3 ALA 46 HB3 ALA 46 -14.747 -6.668 3.348 723 H GLU 47 H GLU 47 -12.936 -4.924 0.481 724 HA GLU 47 HA GLU 47 -13.377 -7.314 -0.983 725 HB2 GLU 47 HB2 GLU 47 -14.030 -5.026 -1.741 726 HB3 GLU 47 HB3 GLU 47 -12.328 -4.662 -1.988 727 HG2 GLU 47 HG2 GLU 47 -13.366 -5.230 -4.083 728 HG3 GLU 47 HG3 GLU 47 -12.192 -6.470 -3.633 729 H ALA 48 H ALA 48 -10.546 -5.166 -0.760 730 HA ALA 48 HA ALA 48 -8.717 -6.707 -2.151 731 HB1 ALA 48 HB1 ALA 48 -6.976 -5.612 -0.685 732 HB2 ALA 48 HB2 ALA 48 -8.310 -4.868 0.200 733 HB3 ALA 48 HB3 ALA 48 -8.082 -4.509 -1.513 734 H LYS 49 H LYS 49 -9.699 -6.929 1.245 735 HA LYS 49 HA LYS 49 -7.802 -8.791 2.082 736 HB2 LYS 49 HB2 LYS 49 -10.343 -7.771 3.089 737 HB3 LYS 49 HB3 LYS 49 -10.043 -9.442 3.557 738 HG2 LYS 49 HG2 LYS 49 -7.751 -8.612 4.322 739 HG3 LYS 49 HG3 LYS 49 -8.432 -6.993 4.163 740 HD2 LYS 49 HD2 LYS 49 -9.547 -9.209 5.879 741 HD3 LYS 49 HD3 LYS 49 -8.610 -7.832 6.458 742 HE2 LYS 49 HE2 LYS 49 -10.340 -6.306 5.711 743 HE3 LYS 49 HE3 LYS 49 -11.258 -7.645 5.026 744 HZ1 LYS 49 HZ1 LYS 49 -12.108 -6.956 7.191 745 HZ2 LYS 49 HZ2 LYS 49 -10.619 -7.312 7.908 746 HZ3 LYS 49 HZ3 LYS 49 -11.550 -8.552 7.229 747 H LYS 50 H LYS 50 -10.807 -9.251 0.323 748 HA LYS 50 HA LYS 50 -10.925 -12.071 0.552 749 HB2 LYS 50 HB2 LYS 50 -11.950 -10.279 -1.660 750 HB3 LYS 50 HB3 LYS 50 -12.385 -11.969 -1.442 751 HG2 LYS 50 HG2 LYS 50 -12.949 -9.761 0.526 752 HG3 LYS 50 HG3 LYS 50 -14.109 -10.437 -0.618 753 HD2 LYS 50 HD2 LYS 50 -13.958 -12.600 0.442 754 HD3 LYS 50 HD3 LYS 50 -12.688 -12.020 1.519 755 HE2 LYS 50 HE2 LYS 50 -15.525 -11.002 1.428 756 HE3 LYS 50 HE3 LYS 50 -14.861 -12.094 2.642 757 HZ1 LYS 50 HZ1 LYS 50 -13.303 -10.360 3.286 758 HZ2 LYS 50 HZ2 LYS 50 -14.902 -9.828 3.443 759 HZ3 LYS 50 HZ3 LYS 50 -13.964 -9.310 2.134 760 H LEU 51 H LEU 51 -9.460 -9.907 -1.823 761 HA LEU 51 HA LEU 51 -8.382 -11.833 -3.555 762 HB2 LEU 51 HB2 LEU 51 -8.165 -9.006 -3.076 763 HB3 LEU 51 HB3 LEU 51 -6.578 -9.679 -3.376 764 HG LEU 51 HG LEU 51 -8.924 -10.039 -5.233 765 HD11 LEU 51 HD11 LEU 51 -8.441 -7.714 -5.130 766 HD12 LEU 51 HD12 LEU 51 -7.704 -8.339 -6.610 767 HD13 LEU 51 HD13 LEU 51 -6.701 -8.011 -5.190 768 HD21 LEU 51 HD21 LEU 51 -7.219 -11.754 -5.471 769 HD22 LEU 51 HD22 LEU 51 -5.961 -10.521 -5.554 770 HD23 LEU 51 HD23 LEU 51 -7.157 -10.647 -6.842 771 H ASN 52 H ASN 52 -6.996 -10.185 -0.745 772 HA ASN 52 HA ASN 52 -4.500 -11.383 -0.693 773 HB2 ASN 52 HB2 ASN 52 -5.069 -9.482 0.704 774 HB3 ASN 52 HB3 ASN 52 -6.224 -10.450 1.612 775 HD21 ASN 52 HD21 ASN 52 -5.503 -11.792 3.209 776 HD22 ASN 52 HD22 ASN 52 -3.857 -11.843 3.734 777 H ASP 53 H ASP 53 -7.548 -12.558 0.700 778 HA ASP 53 HA ASP 53 -6.329 -14.880 1.865 779 HB2 ASP 53 HB2 ASP 53 -9.239 -14.281 1.309 780 HB3 ASP 53 HB3 ASP 53 -8.654 -15.658 2.232 781 H ALA 54 H ALA 54 -7.758 -14.077 -1.173 782 HA ALA 54 HA ALA 54 -8.399 -16.645 -2.102 783 HB1 ALA 54 HB1 ALA 54 -9.243 -14.595 -3.105 784 HB2 ALA 54 HB2 ALA 54 -8.435 -15.603 -4.306 785 HB3 ALA 54 HB3 ALA 54 -7.616 -14.188 -3.642 786 H GLN 55 H GLN 55 -5.562 -14.606 -2.798 787 HA GLN 55 HA GLN 55 -4.205 -16.969 -3.857 788 HB2 GLN 55 HB2 GLN 55 -2.538 -15.396 -4.739 789 HB3 GLN 55 HB3 GLN 55 -4.160 -14.996 -5.278 790 HG2 GLN 55 HG2 GLN 55 -4.257 -13.263 -3.501 791 HG3 GLN 55 HG3 GLN 55 -2.567 -13.611 -3.138 792 HE21 GLN 55 HE21 GLN 55 -4.782 -12.212 -5.405 793 HE22 GLN 55 HE22 GLN 55 -3.597 -11.389 -6.362 794 H ALA 56 H ALA 56 -4.726 -16.412 -0.991 795 HA ALA 56 HA ALA 56 -2.319 -15.815 0.338 796 HB1 ALA 56 HB1 ALA 56 -4.592 -17.578 1.235 797 HB2 ALA 56 HB2 ALA 56 -4.514 -15.828 1.422 798 HB3 ALA 56 HB3 ALA 56 -3.363 -16.859 2.276 Start of MODEL 3 1 H GLN 10 H GLN 10 -16.910 10.722 9.692 2 HA GLN 10 HA GLN 10 -16.966 9.917 7.432 3 HB2 GLN 10 HB2 GLN 10 -14.410 11.486 7.270 4 HB3 GLN 10 HB3 GLN 10 -14.697 10.120 6.211 5 HG2 GLN 10 HG2 GLN 10 -16.659 11.194 5.312 6 HG3 GLN 10 HG3 GLN 10 -16.436 12.561 6.405 7 HE21 GLN 10 HE21 GLN 10 -15.291 10.935 3.570 8 HE22 GLN 10 HE22 GLN 10 -14.238 12.194 3.022 9 H ARG 11 H ARG 11 -15.378 8.250 6.565 10 HA ARG 11 HA ARG 11 -13.533 7.239 8.582 11 HB2 ARG 11 HB2 ARG 11 -14.258 4.968 8.282 12 HB3 ARG 11 HB3 ARG 11 -15.673 5.938 8.686 13 HG2 ARG 11 HG2 ARG 11 -16.389 5.976 6.424 14 HG3 ARG 11 HG3 ARG 11 -14.863 5.252 5.904 15 HD2 ARG 11 HD2 ARG 11 -15.424 3.185 7.035 16 HD3 ARG 11 HD3 ARG 11 -16.885 3.913 7.704 17 HE ARG 11 HE ARG 11 -16.978 4.089 4.898 18 HH11 ARG 11 HH11 ARG 11 -17.155 1.704 7.452 19 HH12 ARG 11 HH12 ARG 11 -18.145 0.612 6.541 20 HH21 ARG 11 HH21 ARG 11 -18.294 2.655 3.695 21 HH22 ARG 11 HH22 ARG 11 -18.785 1.145 4.399 22 H LEU 12 H LEU 12 -11.639 6.830 7.710 23 HA LEU 12 HA LEU 12 -11.395 6.596 4.820 24 HB2 LEU 12 HB2 LEU 12 -9.498 8.272 6.461 25 HB3 LEU 12 HB3 LEU 12 -9.487 8.064 4.727 26 HG LEU 12 HG LEU 12 -10.276 10.232 5.109 27 HD11 LEU 12 HD11 LEU 12 -12.601 10.219 4.333 28 HD12 LEU 12 HD12 LEU 12 -12.687 8.487 4.656 29 HD13 LEU 12 HD13 LEU 12 -11.584 9.101 3.424 30 HD21 LEU 12 HD21 LEU 12 -12.118 9.040 7.144 31 HD22 LEU 12 HD22 LEU 12 -12.089 10.740 6.669 32 HD23 LEU 12 HD23 LEU 12 -10.687 10.013 7.457 33 H ALA 13 H ALA 13 -8.832 6.330 4.516 34 HA ALA 13 HA ALA 13 -7.954 4.261 6.386 35 HB1 ALA 13 HB1 ALA 13 -9.181 3.182 4.478 36 HB2 ALA 13 HB2 ALA 13 -7.526 2.632 4.733 37 HB3 ALA 13 HB3 ALA 13 -7.889 3.759 3.422 38 H ASN 14 H ASN 14 -5.843 4.104 6.669 39 HA ASN 14 HA ASN 14 -4.090 5.928 5.153 40 HB2 ASN 14 HB2 ASN 14 -3.934 4.867 7.981 41 HB3 ASN 14 HB3 ASN 14 -2.550 5.594 7.180 42 HD21 ASN 14 HD21 ASN 14 -5.785 6.762 6.609 43 HD22 ASN 14 HD22 ASN 14 -5.612 8.245 7.481 44 H PHE 15 H PHE 15 -2.008 5.095 4.531 45 HA PHE 15 HA PHE 15 -2.025 2.166 4.313 46 HB2 PHE 15 HB2 PHE 15 -1.928 3.699 2.217 47 HB3 PHE 15 HB3 PHE 15 -0.249 3.971 2.690 48 HD1 PHE 15 HD1 PHE 15 1.405 2.274 2.420 49 HD2 PHE 15 HD2 PHE 15 -2.686 1.459 1.566 50 HE1 PHE 15 HE1 PHE 15 2.053 0.170 1.325 51 HE2 PHE 15 HE2 PHE 15 -2.041 -0.645 0.468 52 HZ PHE 15 HZ PHE 15 0.330 -1.293 0.349 53 H LEU 16 H LEU 16 -0.928 1.362 5.969 54 HA LEU 16 HA LEU 16 1.584 2.667 6.737 55 HB2 LEU 16 HB2 LEU 16 1.344 1.884 8.914 56 HB3 LEU 16 HB3 LEU 16 -0.294 2.341 8.466 57 HG LEU 16 HG LEU 16 0.829 -0.459 8.639 58 HD11 LEU 16 HD11 LEU 16 0.308 0.499 10.792 59 HD12 LEU 16 HD12 LEU 16 -0.911 -0.707 10.378 60 HD13 LEU 16 HD13 LEU 16 -1.278 1.013 10.217 61 HD21 LEU 16 HD21 LEU 16 -1.446 -1.207 8.111 62 HD22 LEU 16 HD22 LEU 16 -0.661 -0.366 6.774 63 HD23 LEU 16 HD23 LEU 16 -1.886 0.461 7.740 64 H VAL 17 H VAL 17 3.309 1.139 7.431 65 HA VAL 17 HA VAL 17 3.166 -1.462 6.185 66 HB VAL 17 HB VAL 17 3.829 -0.273 4.283 67 HG11 VAL 17 HG11 VAL 17 5.492 1.415 4.163 68 HG12 VAL 17 HG12 VAL 17 5.908 1.180 5.861 69 HG13 VAL 17 HG13 VAL 17 4.332 1.845 5.421 70 HG21 VAL 17 HG21 VAL 17 6.142 -0.962 3.881 71 HG22 VAL 17 HG22 VAL 17 5.205 -2.224 4.681 72 HG23 VAL 17 HG23 VAL 17 6.330 -1.240 5.612 73 H HIS 18 H HIS 18 4.223 -2.910 7.300 74 HA HIS 18 HA HIS 18 5.950 -2.263 9.489 75 HB2 HIS 18 HB2 HIS 18 4.512 -4.361 9.258 76 HB3 HIS 18 HB3 HIS 18 5.695 -4.937 8.086 77 HD1 HIS 18 HD1 HIS 18 7.243 -6.544 9.120 78 HD2 HIS 18 HD2 HIS 18 6.060 -3.620 11.824 79 HE1 HIS 18 HE1 HIS 18 8.382 -7.125 11.283 80 HE2 HIS 18 HE2 HIS 18 7.588 -5.394 12.926 81 H SER 19 H SER 19 8.031 -1.714 9.304 82 HA SER 19 HA SER 19 8.881 -0.822 6.849 83 HB2 SER 19 HB2 SER 19 11.078 -0.401 8.041 84 HB3 SER 19 HB3 SER 19 9.633 0.282 8.786 85 HG SER 19 HG SER 19 11.338 -1.109 10.028 86 H SER 20 H SER 20 9.341 -4.061 7.967 87 HA SER 20 HA SER 20 11.876 -4.378 6.651 88 HB2 SER 20 HB2 SER 20 11.456 -6.833 7.189 89 HB3 SER 20 HB3 SER 20 11.551 -5.732 8.561 90 HG SER 20 HG SER 20 9.768 -7.154 8.720 91 H ASN 21 H ASN 21 8.654 -5.899 6.026 92 HA ASN 21 HA ASN 21 9.351 -5.772 3.189 93 HB2 ASN 21 HB2 ASN 21 8.771 -8.074 2.753 94 HB3 ASN 21 HB3 ASN 21 10.038 -7.999 3.971 95 HD21 ASN 21 HD21 ASN 21 6.791 -8.901 3.271 96 HD22 ASN 21 HD22 ASN 21 6.458 -9.681 4.779 97 H ASN 22 H ASN 22 6.801 -5.809 5.588 98 HA ASN 22 HA ASN 22 4.859 -6.344 3.449 99 HB2 ASN 22 HB2 ASN 22 4.878 -7.994 5.243 100 HB3 ASN 22 HB3 ASN 22 4.559 -6.732 6.426 101 HD21 ASN 22 HD21 ASN 22 3.069 -6.850 3.255 102 HD22 ASN 22 HD22 ASN 22 1.470 -7.163 3.825 103 H PHE 23 H PHE 23 3.756 -4.745 2.703 104 HA PHE 23 HA PHE 23 3.138 -2.405 4.299 105 HB2 PHE 23 HB2 PHE 23 1.992 -1.824 2.008 106 HB3 PHE 23 HB3 PHE 23 3.740 -1.725 2.165 107 HD1 PHE 23 HD1 PHE 23 5.169 -3.361 1.089 108 HD2 PHE 23 HD2 PHE 23 0.932 -3.554 0.650 109 HE1 PHE 23 HE1 PHE 23 5.435 -4.928 -0.788 110 HE2 PHE 23 HE2 PHE 23 1.199 -5.123 -1.218 111 HZ PHE 23 HZ PHE 23 3.449 -5.813 -1.941 112 H GLY 24 H GLY 24 1.028 -1.798 4.877 113 HA2 GLY 24 HA2 GLY 24 -1.080 -3.764 4.261 114 HA3 GLY 24 HA3 GLY 24 -0.757 -3.339 5.935 115 H ALA 25 H ALA 25 -2.957 -2.652 6.048 116 HA ALA 25 HA ALA 25 -3.303 0.092 5.170 117 HB1 ALA 25 HB1 ALA 25 -5.692 -0.486 4.520 118 HB2 ALA 25 HB2 ALA 25 -5.163 -2.174 4.494 119 HB3 ALA 25 HB3 ALA 25 -4.425 -0.993 3.403 120 H ILE 26 H ILE 26 -5.150 1.128 6.307 121 HA ILE 26 HA ILE 26 -6.205 -0.199 8.624 122 HB ILE 26 HB ILE 26 -4.072 0.285 9.571 123 HG12 ILE 26 HG12 ILE 26 -5.929 2.465 10.532 124 HG13 ILE 26 HG13 ILE 26 -6.205 0.762 10.888 125 HG21 ILE 26 HG21 ILE 26 -4.480 3.144 8.695 126 HG22 ILE 26 HG22 ILE 26 -3.337 1.999 7.994 127 HG23 ILE 26 HG23 ILE 26 -3.134 2.540 9.660 128 HD11 ILE 26 HD11 ILE 26 -3.835 0.792 11.826 129 HD12 ILE 26 HD12 ILE 26 -5.112 1.572 12.755 130 HD13 ILE 26 HD13 ILE 26 -3.995 2.546 11.802 131 H LEU 27 H LEU 27 -8.091 0.686 9.203 132 HA LEU 27 HA LEU 27 -8.987 3.032 7.780 133 HB2 LEU 27 HB2 LEU 27 -10.340 1.030 9.540 134 HB3 LEU 27 HB3 LEU 27 -11.137 2.521 9.081 135 HG LEU 27 HG LEU 27 -10.212 0.326 7.235 136 HD11 LEU 27 HD11 LEU 27 -12.911 1.443 7.936 137 HD12 LEU 27 HD12 LEU 27 -12.255 -0.102 8.489 138 HD13 LEU 27 HD13 LEU 27 -12.598 0.149 6.775 139 HD21 LEU 27 HD21 LEU 27 -9.842 2.426 6.121 140 HD22 LEU 27 HD22 LEU 27 -11.424 3.017 6.624 141 HD23 LEU 27 HD23 LEU 27 -11.305 1.688 5.471 142 H SER 28 H SER 28 -10.012 4.771 8.766 143 HA SER 28 HA SER 28 -9.362 5.299 11.561 144 HB2 SER 28 HB2 SER 28 -8.549 7.127 9.283 145 HB3 SER 28 HB3 SER 28 -8.376 7.483 10.999 146 HG SER 28 HG SER 28 -7.257 5.121 9.994 147 H SER 29 H SER 29 -11.082 6.151 12.525 148 HA SER 29 HA SER 29 -13.118 7.465 10.856 149 HB2 SER 29 HB2 SER 29 -14.711 6.634 12.676 150 HB3 SER 29 HB3 SER 29 -14.022 5.411 11.616 151 HG SER 29 HG SER 29 -13.053 4.533 13.251 152 H THR 30 H THR 30 -12.575 7.144 14.315 153 HA THR 30 HA THR 30 -12.901 10.018 14.659 154 HB THR 30 HB THR 30 -12.874 9.451 17.108 155 HG1 THR 30 HG1 THR 30 -11.678 7.435 16.777 156 HG21 THR 30 HG21 THR 30 -14.987 9.660 15.903 157 HG22 THR 30 HG22 THR 30 -15.089 8.388 17.119 158 HG23 THR 30 HG23 THR 30 -14.891 7.967 15.418 159 H GLY 13 H GLY 13 15.404 1.523 12.344 160 HA2 GLY 13 HA2 GLY 13 14.633 -0.384 13.627 161 HA3 GLY 13 HA3 GLY 13 13.509 0.967 13.694 162 H GLY 14 H GLY 14 12.766 -1.679 14.249 163 HA2 GLY 14 HA2 GLY 14 11.372 -2.637 11.871 164 HA3 GLY 14 HA3 GLY 14 11.461 -3.454 13.426 165 H GLU 15 H GLU 15 10.331 -0.299 12.259 166 HA GLU 15 HA GLU 15 8.031 -0.519 14.058 167 HB2 GLU 15 HB2 GLU 15 7.806 1.879 13.802 168 HB3 GLU 15 HB3 GLU 15 9.476 1.501 14.206 169 HG2 GLU 15 HG2 GLU 15 10.120 1.756 11.879 170 HG3 GLU 15 HG3 GLU 15 8.445 2.079 11.437 171 H ILE 16 H ILE 16 5.999 0.550 13.166 172 HA ILE 16 HA ILE 16 5.632 -0.179 10.343 173 HB ILE 16 HB ILE 16 3.549 0.154 12.505 174 HG12 ILE 16 HG12 ILE 16 4.487 -2.377 11.152 175 HG13 ILE 16 HG13 ILE 16 5.098 -1.829 12.709 176 HG21 ILE 16 HG21 ILE 16 3.310 -0.815 9.660 177 HG22 ILE 16 HG22 ILE 16 2.694 0.710 10.297 178 HG23 ILE 16 HG23 ILE 16 2.015 -0.819 10.858 179 HD11 ILE 16 HD11 ILE 16 2.239 -2.499 12.085 180 HD12 ILE 16 HD12 ILE 16 2.874 -1.986 13.648 181 HD13 ILE 16 HD13 ILE 16 3.381 -3.525 12.952 182 H VAL 17 H VAL 17 5.644 1.512 9.013 183 HA VAL 17 HA VAL 17 5.108 4.148 10.148 184 HB VAL 17 HB VAL 17 5.947 4.919 7.824 185 HG11 VAL 17 HG11 VAL 17 7.778 3.659 9.868 186 HG12 VAL 17 HG12 VAL 17 7.131 5.298 9.911 187 HG13 VAL 17 HG13 VAL 17 8.274 4.834 8.651 188 HG21 VAL 17 HG21 VAL 17 5.985 2.849 6.665 189 HG22 VAL 17 HG22 VAL 17 7.008 2.111 7.900 190 HG23 VAL 17 HG23 VAL 17 7.648 3.401 6.877 191 H TYR 18 H TYR 18 3.378 5.216 9.785 192 HA TYR 18 HA TYR 18 1.394 4.307 7.867 193 HB2 TYR 18 HB2 TYR 18 1.295 6.571 9.876 194 HB3 TYR 18 HB3 TYR 18 -0.057 6.009 8.905 195 HD1 TYR 18 HD1 TYR 18 -1.434 4.274 9.670 196 HD2 TYR 18 HD2 TYR 18 2.305 4.960 11.579 197 HE1 TYR 18 HE1 TYR 18 -2.069 2.725 11.455 198 HE2 TYR 18 HE2 TYR 18 1.683 3.393 13.369 199 HH TYR 18 HH TYR 18 -0.980 1.302 13.136 200 H LEU 19 H LEU 19 1.508 5.071 5.827 201 HA LEU 19 HA LEU 19 2.443 7.824 5.433 202 HB2 LEU 19 HB2 LEU 19 2.070 5.629 3.404 203 HB3 LEU 19 HB3 LEU 19 2.678 7.212 3.071 204 HG LEU 19 HG LEU 19 4.492 5.780 3.060 205 HD11 LEU 19 HD11 LEU 19 4.762 7.884 4.181 206 HD12 LEU 19 HD12 LEU 19 5.847 6.651 4.836 207 HD13 LEU 19 HD13 LEU 19 4.390 7.112 5.720 208 HD21 LEU 19 HD21 LEU 19 3.475 3.865 4.191 209 HD22 LEU 19 HD22 LEU 19 3.617 4.710 5.733 210 HD23 LEU 19 HD23 LEU 19 5.070 4.239 4.850 211 HA PRO 20 HA PRO 20 -2.072 8.155 4.907 212 HB2 PRO 20 HB2 PRO 20 -2.440 10.436 6.246 213 HB3 PRO 20 HB3 PRO 20 -2.140 8.912 7.088 214 HG2 PRO 20 HG2 PRO 20 -0.287 11.189 6.567 215 HG3 PRO 20 HG3 PRO 20 -0.407 10.141 7.990 216 HD2 PRO 20 HD2 PRO 20 1.451 9.883 5.917 217 HD3 PRO 20 HD3 PRO 20 1.055 8.638 7.116 218 H ASN 21 H ASN 21 0.410 10.498 4.118 219 HA ASN 21 HA ASN 21 -1.510 12.069 2.554 220 HB2 ASN 21 HB2 ASN 21 1.349 12.745 3.252 221 HB3 ASN 21 HB3 ASN 21 0.179 13.816 2.495 222 HD21 ASN 21 HD21 ASN 21 1.713 14.097 4.958 223 HD22 ASN 21 HD22 ASN 21 0.550 14.347 6.217 224 H LEU 22 H LEU 22 -0.199 9.435 1.773 225 HA LEU 22 HA LEU 22 1.395 10.203 -0.511 226 HB2 LEU 22 HB2 LEU 22 0.325 7.540 0.398 227 HB3 LEU 22 HB3 LEU 22 1.243 7.753 -1.079 228 HG LEU 22 HG LEU 22 2.217 8.184 1.739 229 HD11 LEU 22 HD11 LEU 22 3.783 6.401 1.149 230 HD12 LEU 22 HD12 LEU 22 3.024 6.255 -0.434 231 HD13 LEU 22 HD13 LEU 22 2.112 5.859 1.022 232 HD21 LEU 22 HD21 LEU 22 3.154 9.901 0.335 233 HD22 LEU 22 HD22 LEU 22 3.646 8.693 -0.857 234 HD23 LEU 22 HD23 LEU 22 4.373 8.698 0.759 235 H ASN 23 H ASN 23 0.829 9.664 -2.678 236 HA ASN 23 HA ASN 23 -2.032 10.058 -3.182 237 HB2 ASN 23 HB2 ASN 23 0.274 10.266 -5.134 238 HB3 ASN 23 HB3 ASN 23 -1.389 10.775 -5.408 239 HD21 ASN 23 HD21 ASN 23 1.224 12.196 -5.454 240 HD22 ASN 23 HD22 ASN 23 0.997 13.569 -4.425 241 HA PRO 24 HA PRO 24 -2.859 5.927 -4.486 242 HB2 PRO 24 HB2 PRO 24 -3.798 7.167 -7.040 243 HB3 PRO 24 HB3 PRO 24 -4.590 5.965 -6.016 244 HG2 PRO 24 HG2 PRO 24 -5.358 8.505 -5.939 245 HG3 PRO 24 HG3 PRO 24 -5.267 7.539 -4.454 246 HD2 PRO 24 HD2 PRO 24 -3.453 9.687 -5.433 247 HD3 PRO 24 HD3 PRO 24 -3.879 9.233 -3.773 248 H ASP 25 H ASP 25 -1.706 7.865 -7.274 249 HA ASP 25 HA ASP 25 -0.515 5.731 -8.651 250 HB2 ASP 25 HB2 ASP 25 0.045 8.696 -8.715 251 HB3 ASP 25 HB3 ASP 25 0.877 7.555 -9.765 252 H GLN 26 H GLN 26 0.849 8.013 -6.313 253 HA GLN 26 HA GLN 26 3.479 7.123 -6.385 254 HB2 GLN 26 HB2 GLN 26 1.783 8.496 -4.332 255 HB3 GLN 26 HB3 GLN 26 3.434 8.019 -3.945 256 HG2 GLN 26 HG2 GLN 26 3.226 10.345 -4.682 257 HG3 GLN 26 HG3 GLN 26 4.311 9.404 -5.690 258 HE21 GLN 26 HE21 GLN 26 4.172 10.676 -7.470 259 HE22 GLN 26 HE22 GLN 26 2.728 10.874 -8.400 260 H LEU 27 H LEU 27 0.724 5.935 -4.452 261 HA LEU 27 HA LEU 27 2.171 3.961 -3.061 262 HB2 LEU 27 HB2 LEU 27 -0.730 4.051 -3.900 263 HB3 LEU 27 HB3 LEU 27 -0.049 2.755 -2.936 264 HG LEU 27 HG LEU 27 -0.150 5.654 -2.142 265 HD11 LEU 27 HD11 LEU 27 -1.691 3.338 -1.012 266 HD12 LEU 27 HD12 LEU 27 -2.321 4.431 -2.245 267 HD13 LEU 27 HD13 LEU 27 -1.890 5.056 -0.652 268 HD21 LEU 27 HD21 LEU 27 1.772 4.554 -1.189 269 HD22 LEU 27 HD22 LEU 27 0.771 3.198 -0.667 270 HD23 LEU 27 HD23 LEU 27 0.549 4.790 0.059 271 H CYS 28 H CYS 28 0.476 3.867 -6.172 272 HA CYS 28 HA CYS 28 0.923 1.222 -6.871 273 HB2 CYS 28 HB2 CYS 28 1.045 3.613 -8.723 274 HB3 CYS 28 HB3 CYS 28 0.737 1.947 -9.198 275 H ALA 29 H ALA 29 3.044 4.023 -7.227 276 HA ALA 29 HA ALA 29 5.148 2.628 -8.533 277 HB1 ALA 29 HB1 ALA 29 5.219 5.232 -7.009 278 HB2 ALA 29 HB2 ALA 29 4.864 5.047 -8.727 279 HB3 ALA 29 HB3 ALA 29 6.465 4.639 -8.109 280 H PHE 30 H PHE 30 4.753 3.781 -5.182 281 HA PHE 30 HA PHE 30 7.221 2.892 -4.231 282 HB2 PHE 30 HB2 PHE 30 6.288 4.390 -2.788 283 HB3 PHE 30 HB3 PHE 30 4.656 3.800 -3.060 284 HD1 PHE 30 HD1 PHE 30 7.849 2.822 -1.399 285 HD2 PHE 30 HD2 PHE 30 3.604 2.604 -1.442 286 HE1 PHE 30 HE1 PHE 30 7.893 1.653 0.767 287 HE2 PHE 30 HE2 PHE 30 3.637 1.435 0.727 288 HZ PHE 30 HZ PHE 30 5.786 0.958 1.833 289 H ILE 31 H ILE 31 4.039 1.299 -4.118 290 HA ILE 31 HA ILE 31 4.952 -0.965 -2.698 291 HB ILE 31 HB ILE 31 2.545 -0.658 -4.486 292 HG12 ILE 31 HG12 ILE 31 2.725 -0.572 -1.470 293 HG13 ILE 31 HG13 ILE 31 2.742 0.867 -2.486 294 HG21 ILE 31 HG21 ILE 31 1.651 -2.601 -3.253 295 HG22 ILE 31 HG22 ILE 31 3.220 -2.799 -2.472 296 HG23 ILE 31 HG23 ILE 31 3.070 -3.000 -4.218 297 HD11 ILE 31 HD11 ILE 31 0.535 0.349 -3.306 298 HD12 ILE 31 HD12 ILE 31 0.536 0.402 -1.542 299 HD13 ILE 31 HD13 ILE 31 0.518 -1.151 -2.380 300 H HIS 32 H HIS 32 4.711 -0.208 -6.090 301 HA HIS 32 HA HIS 32 5.354 -2.794 -7.062 302 HB2 HIS 32 HB2 HIS 32 4.348 -0.971 -8.456 303 HB3 HIS 32 HB3 HIS 32 5.897 -0.143 -8.417 304 HD1 HIS 32 HD1 HIS 32 7.431 -0.672 -10.303 305 HD2 HIS 32 HD2 HIS 32 4.588 -3.648 -9.712 306 HE1 HIS 32 HE1 HIS 32 7.774 -2.318 -12.172 307 HE2 HIS 32 HE2 HIS 32 6.123 -4.166 -11.729 308 H SER 33 H SER 33 7.238 -0.028 -6.028 309 HA SER 33 HA SER 33 9.737 -0.949 -6.998 310 HB2 SER 33 HB2 SER 33 9.164 0.981 -4.738 311 HB3 SER 33 HB3 SER 33 10.701 0.796 -5.581 312 HG SER 33 HG SER 33 8.408 1.331 -7.098 313 H ILE 34 H ILE 34 7.951 -1.500 -4.023 314 HA ILE 34 HA ILE 34 10.064 -2.692 -2.551 315 HB ILE 34 HB ILE 34 7.086 -3.187 -2.344 316 HG12 ILE 34 HG12 ILE 34 7.747 -0.836 -1.959 317 HG13 ILE 34 HG13 ILE 34 7.149 -1.596 -0.488 318 HG21 ILE 34 HG21 ILE 34 7.569 -4.044 -0.100 319 HG22 ILE 34 HG22 ILE 34 9.295 -3.840 -0.391 320 HG23 ILE 34 HG23 ILE 34 8.373 -5.002 -1.344 321 HD11 ILE 34 HD11 ILE 34 10.047 -1.162 -1.184 322 HD12 ILE 34 HD12 ILE 34 9.433 -1.893 0.298 323 HD13 ILE 34 HD13 ILE 34 9.095 -0.198 -0.054 324 H HIS 35 H HIS 35 7.624 -3.961 -4.746 325 HA HIS 35 HA HIS 35 8.427 -6.690 -4.343 326 HB2 HIS 35 HB2 HIS 35 6.095 -5.855 -4.964 327 HB3 HIS 35 HB3 HIS 35 6.723 -5.638 -6.596 328 HD1 HIS 35 HD1 HIS 35 5.367 -8.177 -4.309 329 HD2 HIS 35 HD2 HIS 35 7.520 -8.122 -7.866 330 HE1 HIS 35 HE1 HIS 35 5.169 -10.496 -5.257 331 HE2 HIS 35 HE2 HIS 35 6.352 -10.398 -7.476 332 H ASP 36 H ASP 36 9.100 -4.133 -6.607 333 HA ASP 36 HA ASP 36 10.478 -5.796 -8.491 334 HB2 ASP 36 HB2 ASP 36 9.456 -3.715 -9.238 335 HB3 ASP 36 HB3 ASP 36 10.466 -2.793 -8.130 336 H ASP 37 H ASP 37 11.381 -3.773 -5.753 337 HA ASP 37 HA ASP 37 14.011 -5.060 -5.803 338 HB2 ASP 37 HB2 ASP 37 14.022 -2.672 -6.780 339 HB3 ASP 37 HB3 ASP 37 13.768 -2.135 -5.116 340 HA PRO 38 HA PRO 38 12.123 -5.304 -1.607 341 HB2 PRO 38 HB2 PRO 38 12.871 -7.836 -1.105 342 HB3 PRO 38 HB3 PRO 38 11.454 -7.447 -2.074 343 HG2 PRO 38 HG2 PRO 38 14.194 -8.214 -2.993 344 HG3 PRO 38 HG3 PRO 38 12.622 -8.811 -3.558 345 HD2 PRO 38 HD2 PRO 38 14.013 -6.903 -4.881 346 HD3 PRO 38 HD3 PRO 38 12.239 -6.948 -4.861 347 H SER 39 H SER 39 15.239 -5.621 -2.907 348 HA SER 39 HA SER 39 16.636 -5.907 -0.406 349 HB2 SER 39 HB2 SER 39 17.508 -6.661 -2.671 350 HB3 SER 39 HB3 SER 39 17.779 -4.961 -3.042 351 HG SER 39 HG SER 39 19.096 -4.940 -1.062 352 H GLN 40 H GLN 40 15.971 -3.249 -2.680 353 HA GLN 40 HA GLN 40 17.129 -1.276 -0.965 354 HB2 GLN 40 HB2 GLN 40 15.378 -0.994 -3.403 355 HB3 GLN 40 HB3 GLN 40 16.175 0.334 -2.579 356 HG2 GLN 40 HG2 GLN 40 18.312 -0.993 -2.995 357 HG3 GLN 40 HG3 GLN 40 17.366 -1.869 -4.182 358 HE21 GLN 40 HE21 GLN 40 19.660 -0.080 -4.521 359 HE22 GLN 40 HE22 GLN 40 19.136 1.155 -5.612 360 H SER 41 H SER 41 14.302 -2.947 -0.681 361 HA SER 41 HA SER 41 12.164 -1.362 -0.459 362 HB2 SER 41 HB2 SER 41 11.469 -2.805 1.524 363 HB3 SER 41 HB3 SER 41 11.917 -3.654 0.044 364 HG SER 41 HG SER 41 13.496 -4.563 1.080 365 H ALA 42 H ALA 42 14.677 -1.530 2.043 366 HA ALA 42 HA ALA 42 13.562 0.061 4.020 367 HB1 ALA 42 HB1 ALA 42 16.443 0.003 3.171 368 HB2 ALA 42 HB2 ALA 42 15.674 -1.196 4.213 369 HB3 ALA 42 HB3 ALA 42 15.827 0.476 4.755 370 H ASN 43 H ASN 43 15.245 0.981 1.108 371 HA ASN 43 HA ASN 43 15.180 3.807 1.684 372 HB2 ASN 43 HB2 ASN 43 17.050 2.910 0.414 373 HB3 ASN 43 HB3 ASN 43 15.952 2.271 -0.805 374 HD21 ASN 43 HD21 ASN 43 17.347 5.170 0.549 375 HD22 ASN 43 HD22 ASN 43 16.992 6.199 -0.795 376 H LEU 44 H LEU 44 13.353 1.506 -0.267 377 HA LEU 44 HA LEU 44 11.916 3.415 -1.754 378 HB2 LEU 44 HB2 LEU 44 11.410 0.539 -1.108 379 HB3 LEU 44 HB3 LEU 44 10.185 1.485 -1.928 380 HG LEU 44 HG LEU 44 11.253 0.501 -3.709 381 HD11 LEU 44 HD11 LEU 44 12.981 2.933 -3.340 382 HD12 LEU 44 HD12 LEU 44 11.306 2.982 -3.896 383 HD13 LEU 44 HD13 LEU 44 12.533 2.147 -4.856 384 HD21 LEU 44 HD21 LEU 44 13.885 0.855 -2.298 385 HD22 LEU 44 HD22 LEU 44 13.659 0.137 -3.892 386 HD23 LEU 44 HD23 LEU 44 12.977 -0.646 -2.467 387 H LEU 45 H LEU 45 11.254 1.981 1.439 388 HA LEU 45 HA LEU 45 8.718 3.405 1.502 389 HB2 LEU 45 HB2 LEU 45 8.131 2.237 3.370 390 HB3 LEU 45 HB3 LEU 45 9.237 1.103 2.627 391 HG LEU 45 HG LEU 45 10.204 3.001 4.739 392 HD11 LEU 45 HD11 LEU 45 8.245 1.874 5.661 393 HD12 LEU 45 HD12 LEU 45 9.728 1.276 6.406 394 HD13 LEU 45 HD13 LEU 45 8.908 0.314 5.175 395 HD21 LEU 45 HD21 LEU 45 11.054 0.243 3.879 396 HD22 LEU 45 HD22 LEU 45 11.806 1.210 5.147 397 HD23 LEU 45 HD23 LEU 45 11.866 1.754 3.471 398 H ALA 46 H ALA 46 11.967 3.954 2.327 399 HA ALA 46 HA ALA 46 11.721 6.033 4.207 400 HB1 ALA 46 HB1 ALA 46 13.904 6.745 3.446 401 HB2 ALA 46 HB2 ALA 46 13.720 5.813 1.955 402 HB3 ALA 46 HB3 ALA 46 13.865 4.981 3.510 403 H GLU 47 H GLU 47 11.734 5.967 0.702 404 HA GLU 47 HA GLU 47 11.355 8.669 0.153 405 HB2 GLU 47 HB2 GLU 47 10.267 6.285 -1.356 406 HB3 GLU 47 HB3 GLU 47 10.477 7.915 -1.999 407 HG2 GLU 47 HG2 GLU 47 12.870 7.748 -1.647 408 HG3 GLU 47 HG3 GLU 47 12.663 6.111 -1.010 409 H ALA 48 H ALA 48 8.980 6.082 0.549 410 HA ALA 48 HA ALA 48 6.647 7.542 0.247 411 HB1 ALA 48 HB1 ALA 48 5.537 5.825 1.551 412 HB2 ALA 48 HB2 ALA 48 7.087 5.295 2.207 413 HB3 ALA 48 HB3 ALA 48 6.745 5.096 0.488 414 H LYS 49 H LYS 49 8.714 7.234 3.078 415 HA LYS 49 HA LYS 49 7.052 8.648 4.874 416 HB2 LYS 49 HB2 LYS 49 9.957 7.903 4.840 417 HB3 LYS 49 HB3 LYS 49 9.321 8.949 6.102 418 HG2 LYS 49 HG2 LYS 49 8.043 6.312 5.490 419 HG3 LYS 49 HG3 LYS 49 9.446 6.418 6.553 420 HD2 LYS 49 HD2 LYS 49 6.903 7.994 6.945 421 HD3 LYS 49 HD3 LYS 49 7.238 6.452 7.731 422 HE2 LYS 49 HE2 LYS 49 9.188 7.401 8.822 423 HE3 LYS 49 HE3 LYS 49 8.937 8.932 7.989 424 HZ1 LYS 49 HZ1 LYS 49 8.104 9.020 10.240 425 HZ2 LYS 49 HZ2 LYS 49 7.080 7.706 9.950 426 HZ3 LYS 49 HZ3 LYS 49 6.827 9.168 9.141 427 H LYS 50 H LYS 50 9.497 9.697 2.564 428 HA LYS 50 HA LYS 50 9.368 12.430 3.527 429 HB2 LYS 50 HB2 LYS 50 11.457 11.398 2.568 430 HB3 LYS 50 HB3 LYS 50 10.664 11.401 1.001 431 HG2 LYS 50 HG2 LYS 50 12.104 13.313 1.149 432 HG3 LYS 50 HG3 LYS 50 10.425 13.861 1.172 433 HD2 LYS 50 HD2 LYS 50 10.558 13.981 3.653 434 HD3 LYS 50 HD3 LYS 50 12.269 13.572 3.544 435 HE2 LYS 50 HE2 LYS 50 12.119 15.935 3.760 436 HE3 LYS 50 HE3 LYS 50 12.561 15.590 2.090 437 HZ1 LYS 50 HZ1 LYS 50 10.857 17.296 2.234 438 HZ2 LYS 50 HZ2 LYS 50 9.823 16.235 3.056 439 HZ3 LYS 50 HZ3 LYS 50 10.257 15.923 1.445 440 H LEU 51 H LEU 51 7.989 10.442 1.057 441 HA LEU 51 HA LEU 51 6.986 12.377 -0.688 442 HB2 LEU 51 HB2 LEU 51 6.658 9.544 -0.160 443 HB3 LEU 51 HB3 LEU 51 5.171 10.282 -0.692 444 HG LEU 51 HG LEU 51 6.277 11.055 -2.726 445 HD11 LEU 51 HD11 LEU 51 8.556 11.296 -1.848 446 HD12 LEU 51 HD12 LEU 51 8.523 10.294 -3.297 447 HD13 LEU 51 HD13 LEU 51 8.686 9.542 -1.710 448 HD21 LEU 51 HD21 LEU 51 5.148 8.881 -2.660 449 HD22 LEU 51 HD22 LEU 51 6.676 8.114 -2.227 450 HD23 LEU 51 HD23 LEU 51 6.496 8.896 -3.797 451 H ASN 52 H ASN 52 5.347 10.679 2.007 452 HA ASN 52 HA ASN 52 2.986 12.246 1.823 453 HB2 ASN 52 HB2 ASN 52 2.191 11.027 3.622 454 HB3 ASN 52 HB3 ASN 52 3.426 9.935 3.013 455 HD21 ASN 52 HD21 ASN 52 5.332 9.670 4.180 456 HD22 ASN 52 HD22 ASN 52 5.469 10.167 5.832 457 H ASP 53 H ASP 53 6.060 12.787 3.210 458 HA ASP 53 HA ASP 53 5.311 14.829 5.069 459 HB2 ASP 53 HB2 ASP 53 7.381 13.694 5.452 460 HB3 ASP 53 HB3 ASP 53 7.942 14.029 3.818 461 H ALA 54 H ALA 54 6.445 14.749 1.736 462 HA ALA 54 HA ALA 54 6.528 17.611 1.485 463 HB1 ALA 54 HB1 ALA 54 8.026 16.235 0.169 464 HB2 ALA 54 HB2 ALA 54 6.962 17.156 -0.894 465 HB3 ALA 54 HB3 ALA 54 6.656 15.444 -0.607 466 H GLN 55 H GLN 55 4.170 15.132 1.080 467 HA GLN 55 HA GLN 55 2.368 16.915 -0.380 468 HB2 GLN 55 HB2 GLN 55 2.692 14.526 -1.097 469 HB3 GLN 55 HB3 GLN 55 1.942 14.027 0.408 470 HG2 GLN 55 HG2 GLN 55 0.304 13.896 -1.299 471 HG3 GLN 55 HG3 GLN 55 -0.101 15.271 -0.275 472 HE21 GLN 55 HE21 GLN 55 -0.847 14.661 -3.024 473 HE22 GLN 55 HE22 GLN 55 -0.334 16.013 -3.974 474 H ALA 56 H ALA 56 3.239 16.854 2.599 475 HA ALA 56 HA ALA 56 0.818 16.468 4.056 476 HB1 ALA 56 HB1 ALA 56 3.501 17.647 4.678 477 HB2 ALA 56 HB2 ALA 56 2.810 16.128 5.250 478 HB3 ALA 56 HB3 ALA 56 2.183 17.664 5.852 479 H GLY 13 H GLY 13 -14.632 -0.263 10.743 480 HA2 GLY 13 HA2 GLY 13 -13.330 1.645 10.064 481 HA3 GLY 13 HA3 GLY 13 -14.458 2.058 11.347 482 H GLY 14 H GLY 14 -11.249 0.518 11.303 483 HA2 GLY 14 HA2 GLY 14 -9.555 2.393 12.152 484 HA3 GLY 14 HA3 GLY 14 -10.487 2.121 13.623 485 H GLU 15 H GLU 15 -10.368 -0.662 11.802 486 HA GLU 15 HA GLU 15 -8.361 -1.862 13.501 487 HB2 GLU 15 HB2 GLU 15 -8.917 -3.941 12.276 488 HB3 GLU 15 HB3 GLU 15 -10.320 -3.189 12.994 489 HG2 GLU 15 HG2 GLU 15 -9.594 -2.732 10.153 490 HG3 GLU 15 HG3 GLU 15 -10.494 -4.157 10.635 491 H ILE 16 H ILE 16 -6.711 -3.263 12.447 492 HA ILE 16 HA ILE 16 -5.427 -1.752 10.288 493 HB ILE 16 HB ILE 16 -4.191 -3.919 11.993 494 HG12 ILE 16 HG12 ILE 16 -4.336 -0.932 12.367 495 HG13 ILE 16 HG13 ILE 16 -4.756 -2.192 13.517 496 HG21 ILE 16 HG21 ILE 16 -2.078 -2.964 11.193 497 HG22 ILE 16 HG22 ILE 16 -2.976 -1.813 10.204 498 HG23 ILE 16 HG23 ILE 16 -3.079 -3.540 9.861 499 HD11 ILE 16 HD11 ILE 16 -2.701 -1.111 14.162 500 HD12 ILE 16 HD12 ILE 16 -1.990 -1.471 12.589 501 HD13 ILE 16 HD13 ILE 16 -2.381 -2.785 13.699 502 H VAL 17 H VAL 17 -5.204 -2.589 8.287 503 HA VAL 17 HA VAL 17 -6.327 -5.297 7.910 504 HB VAL 17 HB VAL 17 -6.423 -3.075 5.869 505 HG11 VAL 17 HG11 VAL 17 -8.526 -4.369 5.217 506 HG12 VAL 17 HG12 VAL 17 -7.879 -5.666 6.222 507 HG13 VAL 17 HG13 VAL 17 -6.965 -5.081 4.836 508 HG21 VAL 17 HG21 VAL 17 -8.715 -2.601 6.603 509 HG22 VAL 17 HG22 VAL 17 -7.491 -2.156 7.789 510 HG23 VAL 17 HG23 VAL 17 -8.448 -3.622 8.014 511 H TYR 18 H TYR 18 -4.313 -6.350 7.925 512 HA TYR 18 HA TYR 18 -2.190 -5.379 6.177 513 HB2 TYR 18 HB2 TYR 18 -2.353 -7.112 8.530 514 HB3 TYR 18 HB3 TYR 18 -1.270 -7.725 7.287 515 HD1 TYR 18 HD1 TYR 18 -1.961 -4.192 8.272 516 HD2 TYR 18 HD2 TYR 18 0.857 -7.374 8.136 517 HE1 TYR 18 HE1 TYR 18 -0.199 -2.663 9.052 518 HE2 TYR 18 HE2 TYR 18 2.624 -5.855 8.913 519 HH TYR 18 HH TYR 18 2.006 -2.860 10.253 520 H LEU 19 H LEU 19 -2.085 -6.010 4.138 521 HA LEU 19 HA LEU 19 -3.077 -8.690 3.435 522 HB2 LEU 19 HB2 LEU 19 -3.550 -6.062 2.043 523 HB3 LEU 19 HB3 LEU 19 -3.670 -7.578 1.178 524 HG LEU 19 HG LEU 19 -5.430 -8.297 2.790 525 HD11 LEU 19 HD11 LEU 19 -5.397 -5.419 3.664 526 HD12 LEU 19 HD12 LEU 19 -4.764 -6.765 4.615 527 HD13 LEU 19 HD13 LEU 19 -6.478 -6.706 4.211 528 HD21 LEU 19 HD21 LEU 19 -7.162 -6.858 1.846 529 HD22 LEU 19 HD22 LEU 19 -6.002 -7.401 0.626 530 HD23 LEU 19 HD23 LEU 19 -5.911 -5.754 1.267 531 HA PRO 20 HA PRO 20 1.286 -8.286 2.025 532 HB2 PRO 20 HB2 PRO 20 2.111 -10.719 2.817 533 HB3 PRO 20 HB3 PRO 20 1.965 -9.367 3.947 534 HG2 PRO 20 HG2 PRO 20 0.104 -11.662 3.482 535 HG3 PRO 20 HG3 PRO 20 0.604 -10.917 5.011 536 HD2 PRO 20 HD2 PRO 20 -1.775 -10.388 3.753 537 HD3 PRO 20 HD3 PRO 20 -0.959 -9.254 4.848 538 H ASN 21 H ASN 21 -1.275 -10.407 1.216 539 HA ASN 21 HA ASN 21 0.313 -11.889 -0.730 540 HB2 ASN 21 HB2 ASN 21 -2.591 -12.224 0.045 541 HB3 ASN 21 HB3 ASN 21 -1.685 -13.286 -1.027 542 HD21 ASN 21 HD21 ASN 21 -0.051 -14.606 -0.143 543 HD22 ASN 21 HD22 ASN 21 -0.016 -14.980 1.544 544 H LEU 22 H LEU 22 -1.367 -9.043 -0.695 545 HA LEU 22 HA LEU 22 -2.520 -9.131 -3.306 546 HB2 LEU 22 HB2 LEU 22 -1.767 -6.867 -1.480 547 HB3 LEU 22 HB3 LEU 22 -2.463 -6.617 -3.066 548 HG LEU 22 HG LEU 22 -3.798 -8.018 -0.745 549 HD11 LEU 22 HD11 LEU 22 -5.239 -6.098 -0.709 550 HD12 LEU 22 HD12 LEU 22 -4.434 -5.407 -2.113 551 HD13 LEU 22 HD13 LEU 22 -3.572 -5.550 -0.581 552 HD21 LEU 22 HD21 LEU 22 -4.534 -9.067 -2.739 553 HD22 LEU 22 HD22 LEU 22 -4.697 -7.521 -3.573 554 HD23 LEU 22 HD23 LEU 22 -5.794 -7.929 -2.250 555 H ASN 23 H ASN 23 -1.699 -8.397 -5.231 556 HA ASN 23 HA ASN 23 1.196 -7.944 -5.263 557 HB2 ASN 23 HB2 ASN 23 1.180 -8.511 -7.598 558 HB3 ASN 23 HB3 ASN 23 0.273 -9.745 -6.733 559 HD21 ASN 23 HD21 ASN 23 -1.919 -9.929 -7.060 560 HD22 ASN 23 HD22 ASN 23 -2.735 -9.134 -8.360 561 HA PRO 24 HA PRO 24 1.051 -3.599 -5.659 562 HB2 PRO 24 HB2 PRO 24 2.768 -4.104 -8.059 563 HB3 PRO 24 HB3 PRO 24 2.984 -2.934 -6.753 564 HG2 PRO 24 HG2 PRO 24 4.374 -5.204 -6.789 565 HG3 PRO 24 HG3 PRO 24 3.760 -4.535 -5.268 566 HD2 PRO 24 HD2 PRO 24 2.840 -6.897 -6.795 567 HD3 PRO 24 HD3 PRO 24 2.717 -6.552 -5.060 568 H ASP 25 H ASP 25 0.999 -5.192 -8.846 569 HA ASP 25 HA ASP 25 -0.143 -3.093 -10.267 570 HB2 ASP 25 HB2 ASP 25 -0.198 -6.065 -10.772 571 HB3 ASP 25 HB3 ASP 25 -0.842 -4.890 -11.912 572 H GLN 26 H GLN 26 -1.723 -5.656 -8.411 573 HA GLN 26 HA GLN 26 -4.299 -4.904 -9.484 574 HB2 GLN 26 HB2 GLN 26 -4.222 -7.186 -9.374 575 HB3 GLN 26 HB3 GLN 26 -3.182 -7.192 -7.954 576 HG2 GLN 26 HG2 GLN 26 -5.314 -8.072 -7.362 577 HG3 GLN 26 HG3 GLN 26 -5.076 -6.498 -6.601 578 HE21 GLN 26 HE21 GLN 26 -7.309 -6.241 -6.320 579 HE22 GLN 26 HE22 GLN 26 -8.359 -5.856 -7.638 580 H LEU 27 H LEU 27 -2.538 -4.816 -6.382 581 HA LEU 27 HA LEU 27 -4.785 -3.945 -4.897 582 HB2 LEU 27 HB2 LEU 27 -3.156 -3.237 -3.165 583 HB3 LEU 27 HB3 LEU 27 -3.001 -4.900 -3.671 584 HG LEU 27 HG LEU 27 -1.072 -4.091 -5.151 585 HD11 LEU 27 HD11 LEU 27 -1.563 -1.709 -5.041 586 HD12 LEU 27 HD12 LEU 27 0.049 -2.064 -4.421 587 HD13 LEU 27 HD13 LEU 27 -1.271 -1.727 -3.302 588 HD21 LEU 27 HD21 LEU 27 -0.847 -5.411 -3.068 589 HD22 LEU 27 HD22 LEU 27 -0.737 -3.898 -2.158 590 HD23 LEU 27 HD23 LEU 27 0.502 -4.307 -3.346 591 H CYS 28 H CYS 28 -2.702 -2.338 -7.061 592 HA CYS 28 HA CYS 28 -2.995 0.323 -6.275 593 HB2 CYS 28 HB2 CYS 28 -1.485 -0.396 -8.065 594 HB3 CYS 28 HB3 CYS 28 -2.862 -0.847 -9.064 595 H ALA 29 H ALA 29 -5.255 -1.895 -7.696 596 HA ALA 29 HA ALA 29 -7.049 0.006 -8.792 597 HB1 ALA 29 HB1 ALA 29 -7.586 -2.843 -7.965 598 HB2 ALA 29 HB2 ALA 29 -6.976 -2.325 -9.537 599 HB3 ALA 29 HB3 ALA 29 -8.595 -1.854 -9.021 600 H PHE 30 H PHE 30 -7.024 -1.761 -5.674 601 HA PHE 30 HA PHE 30 -9.499 -0.570 -4.877 602 HB2 PHE 30 HB2 PHE 30 -9.427 -1.871 -2.999 603 HB3 PHE 30 HB3 PHE 30 -8.321 -2.787 -4.007 604 HD1 PHE 30 HD1 PHE 30 -6.027 -3.020 -3.412 605 HD2 PHE 30 HD2 PHE 30 -8.569 -0.441 -1.180 606 HE1 PHE 30 HE1 PHE 30 -4.324 -2.872 -1.643 607 HE2 PHE 30 HE2 PHE 30 -6.866 -0.281 0.585 608 HZ PHE 30 HZ PHE 30 -4.739 -1.498 0.354 609 H ILE 31 H ILE 31 -6.126 0.240 -4.538 610 HA ILE 31 HA ILE 31 -6.375 2.365 -2.710 611 HB ILE 31 HB ILE 31 -4.456 1.980 -5.013 612 HG12 ILE 31 HG12 ILE 31 -4.156 1.607 -2.022 613 HG13 ILE 31 HG13 ILE 31 -4.268 0.316 -3.229 614 HG21 ILE 31 HG21 ILE 31 -4.660 4.358 -4.515 615 HG22 ILE 31 HG22 ILE 31 -3.087 3.739 -4.017 616 HG23 ILE 31 HG23 ILE 31 -4.339 4.037 -2.811 617 HD11 ILE 31 HD11 ILE 31 -2.047 2.341 -2.978 618 HD12 ILE 31 HD12 ILE 31 -2.158 1.083 -4.213 619 HD13 ILE 31 HD13 ILE 31 -1.977 0.638 -2.515 620 H HIS 32 H HIS 32 -6.534 2.282 -6.245 621 HA HIS 32 HA HIS 32 -7.212 4.930 -6.764 622 HB2 HIS 32 HB2 HIS 32 -6.678 3.187 -8.479 623 HB3 HIS 32 HB3 HIS 32 -8.250 2.457 -8.188 624 HD1 HIS 32 HD1 HIS 32 -6.575 4.834 -10.309 625 HD2 HIS 32 HD2 HIS 32 -10.452 4.337 -8.903 626 HE1 HIS 32 HE1 HIS 32 -8.029 6.170 -11.857 627 HE2 HIS 32 HE2 HIS 32 -10.342 6.002 -10.876 628 H SER 33 H SER 33 -9.150 2.227 -5.666 629 HA SER 33 HA SER 33 -11.681 3.435 -6.057 630 HB2 SER 33 HB2 SER 33 -10.873 1.140 -4.267 631 HB3 SER 33 HB3 SER 33 -12.529 1.560 -4.710 632 HG SER 33 HG SER 33 -10.792 1.260 -6.839 633 H ILE 34 H ILE 34 -9.419 3.424 -3.345 634 HA ILE 34 HA ILE 34 -11.227 4.482 -1.417 635 HB ILE 34 HB ILE 34 -8.214 4.759 -1.516 636 HG12 ILE 34 HG12 ILE 34 -8.996 2.412 -1.505 637 HG13 ILE 34 HG13 ILE 34 -8.160 2.838 -0.013 638 HG21 ILE 34 HG21 ILE 34 -9.215 6.405 -0.033 639 HG22 ILE 34 HG22 ILE 34 -8.389 5.162 0.908 640 HG23 ILE 34 HG23 ILE 34 -10.147 5.143 0.774 641 HD11 ILE 34 HD11 ILE 34 -10.314 3.098 1.101 642 HD12 ILE 34 HD12 ILE 34 -10.122 1.481 0.424 643 HD13 ILE 34 HD13 ILE 34 -11.133 2.668 -0.396 644 H HIS 35 H HIS 35 -9.089 5.895 -3.784 645 HA HIS 35 HA HIS 35 -9.569 8.612 -2.988 646 HB2 HIS 35 HB2 HIS 35 -7.509 7.849 -4.180 647 HB3 HIS 35 HB3 HIS 35 -8.484 7.551 -5.610 648 HD1 HIS 35 HD1 HIS 35 -6.621 10.186 -3.857 649 HD2 HIS 35 HD2 HIS 35 -9.553 9.974 -6.799 650 HE1 HIS 35 HE1 HIS 35 -6.601 12.425 -4.996 651 HE2 HIS 35 HE2 HIS 35 -8.380 12.277 -6.773 652 H ASP 36 H ASP 36 -10.980 6.314 -5.163 653 HA ASP 36 HA ASP 36 -12.587 8.180 -6.616 654 HB2 ASP 36 HB2 ASP 36 -11.917 6.117 -7.680 655 HB3 ASP 36 HB3 ASP 36 -12.672 5.172 -6.404 656 H ASP 37 H ASP 37 -12.999 6.251 -3.771 657 HA ASP 37 HA ASP 37 -15.374 7.667 -3.041 658 HB2 ASP 37 HB2 ASP 37 -16.132 5.759 -4.584 659 HB3 ASP 37 HB3 ASP 37 -15.672 4.674 -3.270 660 HA PRO 38 HA PRO 38 -12.712 6.379 0.513 661 HB2 PRO 38 HB2 PRO 38 -13.212 8.668 1.909 662 HB3 PRO 38 HB3 PRO 38 -11.905 8.500 0.740 663 HG2 PRO 38 HG2 PRO 38 -14.630 9.695 0.357 664 HG3 PRO 38 HG3 PRO 38 -13.055 10.319 -0.170 665 HD2 PRO 38 HD2 PRO 38 -14.666 9.045 -1.885 666 HD3 PRO 38 HD3 PRO 38 -12.909 8.812 -1.937 667 H SER 39 H SER 39 -16.032 7.310 0.150 668 HA SER 39 HA SER 39 -16.871 6.922 2.824 669 HB2 SER 39 HB2 SER 39 -18.966 6.249 0.993 670 HB3 SER 39 HB3 SER 39 -18.773 7.719 1.947 671 HG SER 39 HG SER 39 -17.870 7.166 -0.683 672 H GLN 40 H GLN 40 -16.656 4.799 0.014 673 HA GLN 40 HA GLN 40 -17.662 2.505 1.439 674 HB2 GLN 40 HB2 GLN 40 -16.266 2.560 -1.229 675 HB3 GLN 40 HB3 GLN 40 -17.391 1.350 -0.625 676 HG2 GLN 40 HG2 GLN 40 -18.116 4.209 -1.172 677 HG3 GLN 40 HG3 GLN 40 -18.333 2.896 -2.313 678 HE21 GLN 40 HE21 GLN 40 -20.278 4.675 -1.047 679 HE22 GLN 40 HE22 GLN 40 -21.410 3.640 -0.244 680 H SER 41 H SER 41 -14.878 4.076 1.766 681 HA SER 41 HA SER 41 -12.660 2.731 1.215 682 HB2 SER 41 HB2 SER 41 -12.764 4.751 2.639 683 HB3 SER 41 HB3 SER 41 -13.258 3.747 4.000 684 HG SER 41 HG SER 41 -10.776 3.889 2.694 685 H ALA 42 H ALA 42 -14.378 1.899 4.248 686 HA ALA 42 HA ALA 42 -12.954 -0.307 5.015 687 HB1 ALA 42 HB1 ALA 42 -14.760 0.755 6.304 688 HB2 ALA 42 HB2 ALA 42 -14.914 -1.003 6.241 689 HB3 ALA 42 HB3 ALA 42 -15.935 0.010 5.215 690 H ASN 43 H ASN 43 -15.521 -0.164 2.646 691 HA ASN 43 HA ASN 43 -15.727 -2.989 2.312 692 HB2 ASN 43 HB2 ASN 43 -17.646 -1.585 1.851 693 HB3 ASN 43 HB3 ASN 43 -16.751 -0.706 0.617 694 HD21 ASN 43 HD21 ASN 43 -18.398 -3.649 1.416 695 HD22 ASN 43 HD22 ASN 43 -18.469 -4.286 -0.190 696 H LEU 44 H LEU 44 -13.915 -0.405 0.697 697 HA LEU 44 HA LEU 44 -12.992 -2.071 -1.421 698 HB2 LEU 44 HB2 LEU 44 -11.817 0.437 -0.228 699 HB3 LEU 44 HB3 LEU 44 -11.095 -0.403 -1.581 700 HG LEU 44 HG LEU 44 -12.242 1.094 -2.790 701 HD11 LEU 44 HD11 LEU 44 -14.506 0.415 -3.446 702 HD12 LEU 44 HD12 LEU 44 -14.517 -0.751 -2.118 703 HD13 LEU 44 HD13 LEU 44 -13.357 -0.927 -3.435 704 HD21 LEU 44 HD21 LEU 44 -14.150 1.373 -0.495 705 HD22 LEU 44 HD22 LEU 44 -14.304 2.244 -2.020 706 HD23 LEU 44 HD23 LEU 44 -12.887 2.495 -1.002 707 H LEU 45 H LEU 45 -11.978 -1.499 1.892 708 HA LEU 45 HA LEU 45 -9.575 -2.980 1.736 709 HB2 LEU 45 HB2 LEU 45 -11.331 -1.960 3.920 710 HB3 LEU 45 HB3 LEU 45 -10.170 -3.188 4.295 711 HG LEU 45 HG LEU 45 -8.970 -1.330 4.817 712 HD11 LEU 45 HD11 LEU 45 -8.405 -1.530 1.877 713 HD12 LEU 45 HD12 LEU 45 -7.820 -2.678 3.082 714 HD13 LEU 45 HD13 LEU 45 -7.305 -0.991 3.148 715 HD21 LEU 45 HD21 LEU 45 -10.162 0.058 2.440 716 HD22 LEU 45 HD22 LEU 45 -9.115 0.777 3.665 717 HD23 LEU 45 HD23 LEU 45 -10.724 0.204 4.101 718 H ALA 46 H ALA 46 -12.905 -3.783 2.590 719 HA ALA 46 HA ALA 46 -12.488 -6.498 3.196 720 HB1 ALA 46 HB1 ALA 46 -14.895 -6.761 2.788 721 HB2 ALA 46 HB2 ALA 46 -14.942 -5.159 2.049 722 HB3 ALA 46 HB3 ALA 46 -14.556 -5.331 3.763 723 H GLU 47 H GLU 47 -13.134 -4.809 0.182 724 HA GLU 47 HA GLU 47 -13.381 -6.998 -1.542 725 HB2 GLU 47 HB2 GLU 47 -13.887 -4.618 -2.102 726 HB3 GLU 47 HB3 GLU 47 -12.161 -4.294 -2.138 727 HG2 GLU 47 HG2 GLU 47 -12.859 -4.553 -4.372 728 HG3 GLU 47 HG3 GLU 47 -11.967 -6.011 -3.939 729 H ALA 48 H ALA 48 -10.520 -5.013 -0.824 730 HA ALA 48 HA ALA 48 -8.635 -6.523 -2.209 731 HB1 ALA 48 HB1 ALA 48 -6.971 -5.518 -0.632 732 HB2 ALA 48 HB2 ALA 48 -8.328 -4.831 0.264 733 HB3 ALA 48 HB3 ALA 48 -8.046 -4.352 -1.410 734 H LYS 49 H LYS 49 -9.741 -6.809 1.155 735 HA LYS 49 HA LYS 49 -7.999 -8.758 2.037 736 HB2 LYS 49 HB2 LYS 49 -10.370 -7.509 2.959 737 HB3 LYS 49 HB3 LYS 49 -10.557 -9.247 3.190 738 HG2 LYS 49 HG2 LYS 49 -8.333 -9.229 4.334 739 HG3 LYS 49 HG3 LYS 49 -8.384 -7.467 4.236 740 HD2 LYS 49 HD2 LYS 49 -10.383 -7.395 5.564 741 HD3 LYS 49 HD3 LYS 49 -10.513 -9.152 5.542 742 HE2 LYS 49 HE2 LYS 49 -8.370 -9.285 6.771 743 HE3 LYS 49 HE3 LYS 49 -8.347 -7.525 6.864 744 HZ1 LYS 49 HZ1 LYS 49 -10.397 -7.587 8.120 745 HZ2 LYS 49 HZ2 LYS 49 -9.232 -8.540 8.884 746 HZ3 LYS 49 HZ3 LYS 49 -10.468 -9.269 7.994 747 H LYS 50 H LYS 50 -10.770 -9.105 -0.057 748 HA LYS 50 HA LYS 50 -11.124 -11.890 0.215 749 HB2 LYS 50 HB2 LYS 50 -12.779 -10.458 -0.886 750 HB3 LYS 50 HB3 LYS 50 -11.640 -10.122 -2.181 751 HG2 LYS 50 HG2 LYS 50 -11.684 -12.440 -2.870 752 HG3 LYS 50 HG3 LYS 50 -12.749 -12.842 -1.523 753 HD2 LYS 50 HD2 LYS 50 -14.463 -11.348 -2.447 754 HD3 LYS 50 HD3 LYS 50 -13.395 -10.971 -3.800 755 HE2 LYS 50 HE2 LYS 50 -14.446 -13.714 -3.118 756 HE3 LYS 50 HE3 LYS 50 -15.088 -12.661 -4.378 757 HZ1 LYS 50 HZ1 LYS 50 -13.576 -14.333 -5.262 758 HZ2 LYS 50 HZ2 LYS 50 -12.324 -13.742 -4.297 759 HZ3 LYS 50 HZ3 LYS 50 -12.977 -12.774 -5.520 760 H LEU 51 H LEU 51 -9.113 -9.982 -2.027 761 HA LEU 51 HA LEU 51 -8.045 -12.248 -3.380 762 HB2 LEU 51 HB2 LEU 51 -6.740 -9.547 -3.083 763 HB3 LEU 51 HB3 LEU 51 -6.402 -10.748 -4.309 764 HG LEU 51 HG LEU 51 -9.091 -10.247 -4.666 765 HD11 LEU 51 HD11 LEU 51 -7.665 -7.697 -3.934 766 HD12 LEU 51 HD12 LEU 51 -9.105 -8.378 -3.173 767 HD13 LEU 51 HD13 LEU 51 -9.188 -7.765 -4.824 768 HD21 LEU 51 HD21 LEU 51 -6.732 -8.950 -6.023 769 HD22 LEU 51 HD22 LEU 51 -8.363 -9.082 -6.683 770 HD23 LEU 51 HD23 LEU 51 -7.403 -10.535 -6.407 771 H ASN 52 H ASN 52 -6.918 -10.215 -0.723 772 HA ASN 52 HA ASN 52 -4.525 -11.350 -0.062 773 HB2 ASN 52 HB2 ASN 52 -5.386 -9.477 1.162 774 HB3 ASN 52 HB3 ASN 52 -6.765 -10.403 1.728 775 HD21 ASN 52 HD21 ASN 52 -3.518 -11.721 1.693 776 HD22 ASN 52 HD22 ASN 52 -3.314 -11.738 3.407 777 H ASP 53 H ASP 53 -7.749 -12.563 0.893 778 HA ASP 53 HA ASP 53 -6.651 -14.794 2.306 779 HB2 ASP 53 HB2 ASP 53 -8.829 -13.863 2.937 780 HB3 ASP 53 HB3 ASP 53 -9.482 -14.314 1.364 781 H ALA 54 H ALA 54 -7.945 -14.260 -0.875 782 HA ALA 54 HA ALA 54 -8.193 -16.895 -1.757 783 HB1 ALA 54 HB1 ALA 54 -9.027 -14.831 -2.880 784 HB2 ALA 54 HB2 ALA 54 -8.232 -15.983 -3.956 785 HB3 ALA 54 HB3 ALA 54 -7.376 -14.535 -3.422 786 H GLN 55 H GLN 55 -5.460 -14.653 -2.033 787 HA GLN 55 HA GLN 55 -3.775 -16.703 -3.195 788 HB2 GLN 55 HB2 GLN 55 -3.262 -13.826 -2.443 789 HB3 GLN 55 HB3 GLN 55 -2.041 -14.878 -3.144 790 HG2 GLN 55 HG2 GLN 55 -4.665 -14.201 -4.452 791 HG3 GLN 55 HG3 GLN 55 -3.137 -13.385 -4.782 792 HE21 GLN 55 HE21 GLN 55 -4.977 -16.304 -5.181 793 HE22 GLN 55 HE22 GLN 55 -3.949 -17.032 -6.364 794 H ALA 56 H ALA 56 -4.807 -16.312 -0.192 795 HA ALA 56 HA ALA 56 -2.263 -16.598 1.185 796 HB1 ALA 56 HB1 ALA 56 -3.913 -15.244 2.262 797 HB2 ALA 56 HB2 ALA 56 -3.723 -16.723 3.210 798 HB3 ALA 56 HB3 ALA 56 -5.113 -16.527 2.138 Start of MODEL 4 1 H GLN 10 H GLN 10 -16.612 10.455 7.771 2 HA GLN 10 HA GLN 10 -16.393 8.927 5.940 3 HB2 GLN 10 HB2 GLN 10 -13.924 10.288 6.952 4 HB3 GLN 10 HB3 GLN 10 -13.890 9.371 5.461 5 HG2 GLN 10 HG2 GLN 10 -14.206 11.653 4.913 6 HG3 GLN 10 HG3 GLN 10 -15.717 10.805 4.598 7 HE21 GLN 10 HE21 GLN 10 -14.086 13.093 6.626 8 HE22 GLN 10 HE22 GLN 10 -15.496 13.710 7.412 9 H ARG 11 H ARG 11 -14.541 7.567 4.950 10 HA ARG 11 HA ARG 11 -13.460 5.590 6.782 11 HB2 ARG 11 HB2 ARG 11 -14.427 3.769 5.422 12 HB3 ARG 11 HB3 ARG 11 -15.649 4.759 6.214 13 HG2 ARG 11 HG2 ARG 11 -16.288 5.793 4.261 14 HG3 ARG 11 HG3 ARG 11 -14.769 5.381 3.455 15 HD2 ARG 11 HD2 ARG 11 -16.657 4.049 2.608 16 HD3 ARG 11 HD3 ARG 11 -15.434 3.043 3.382 17 HE ARG 11 HE ARG 11 -17.153 3.467 5.395 18 HH11 ARG 11 HH11 ARG 11 -17.764 2.583 2.067 19 HH12 ARG 11 HH12 ARG 11 -19.065 1.502 2.458 20 HH21 ARG 11 HH21 ARG 11 -18.890 2.072 5.908 21 HH22 ARG 11 HH22 ARG 11 -19.726 1.240 4.638 22 H LEU 12 H LEU 12 -11.993 7.415 5.516 23 HA LEU 12 HA LEU 12 -11.025 6.683 2.944 24 HB2 LEU 12 HB2 LEU 12 -9.900 8.441 5.122 25 HB3 LEU 12 HB3 LEU 12 -9.003 8.111 3.657 26 HG LEU 12 HG LEU 12 -10.047 10.267 3.481 27 HD11 LEU 12 HD11 LEU 12 -11.458 8.232 1.784 28 HD12 LEU 12 HD12 LEU 12 -9.935 9.047 1.421 29 HD13 LEU 12 HD13 LEU 12 -11.439 9.969 1.484 30 HD21 LEU 12 HD21 LEU 12 -11.847 9.946 5.081 31 HD22 LEU 12 HD22 LEU 12 -12.662 8.873 3.940 32 HD23 LEU 12 HD23 LEU 12 -12.444 10.576 3.545 33 H ALA 13 H ALA 13 -8.850 5.871 2.493 34 HA ALA 13 HA ALA 13 -7.978 4.024 4.608 35 HB1 ALA 13 HB1 ALA 13 -9.062 2.918 2.660 36 HB2 ALA 13 HB2 ALA 13 -7.409 2.394 2.983 37 HB3 ALA 13 HB3 ALA 13 -7.738 3.513 1.657 38 H ASN 14 H ASN 14 -5.963 4.013 5.175 39 HA ASN 14 HA ASN 14 -4.035 5.739 3.815 40 HB2 ASN 14 HB2 ASN 14 -3.564 4.078 6.295 41 HB3 ASN 14 HB3 ASN 14 -2.675 5.499 5.763 42 HD21 ASN 14 HD21 ASN 14 -5.553 4.322 7.291 43 HD22 ASN 14 HD22 ASN 14 -6.074 5.836 7.952 44 H PHE 15 H PHE 15 -2.032 4.853 3.050 45 HA PHE 15 HA PHE 15 -2.217 1.970 2.516 46 HB2 PHE 15 HB2 PHE 15 -2.057 3.666 0.588 47 HB3 PHE 15 HB3 PHE 15 -0.399 3.927 1.119 48 HD1 PHE 15 HD1 PHE 15 -2.703 1.645 -0.524 49 HD2 PHE 15 HD2 PHE 15 1.279 2.183 0.872 50 HE1 PHE 15 HE1 PHE 15 -1.977 -0.289 -1.860 51 HE2 PHE 15 HE2 PHE 15 2.014 0.254 -0.462 52 HZ PHE 15 HZ PHE 15 0.384 -0.985 -1.830 53 H LEU 16 H LEU 16 -1.230 1.057 4.246 54 HA LEU 16 HA LEU 16 1.365 2.130 5.069 55 HB2 LEU 16 HB2 LEU 16 1.103 1.164 7.163 56 HB3 LEU 16 HB3 LEU 16 -0.529 1.684 6.768 57 HG LEU 16 HG LEU 16 0.544 -1.136 6.636 58 HD11 LEU 16 HD11 LEU 16 0.103 -0.378 8.900 59 HD12 LEU 16 HD12 LEU 16 -1.129 -1.542 8.409 60 HD13 LEU 16 HD13 LEU 16 -1.500 0.185 8.427 61 HD21 LEU 16 HD21 LEU 16 -1.724 -1.797 6.070 62 HD22 LEU 16 HD22 LEU 16 -1.003 -0.757 4.837 63 HD23 LEU 16 HD23 LEU 16 -2.191 -0.098 5.964 64 H VAL 17 H VAL 17 3.058 0.533 5.549 65 HA VAL 17 HA VAL 17 2.812 -1.949 4.096 66 HB VAL 17 HB VAL 17 3.416 -0.610 2.277 67 HG11 VAL 17 HG11 VAL 17 5.586 0.646 3.916 68 HG12 VAL 17 HG12 VAL 17 4.031 1.391 3.539 69 HG13 VAL 17 HG13 VAL 17 5.170 1.020 2.243 70 HG21 VAL 17 HG21 VAL 17 5.924 -1.787 3.410 71 HG22 VAL 17 HG22 VAL 17 5.704 -1.314 1.725 72 HG23 VAL 17 HG23 VAL 17 4.736 -2.620 2.410 73 H HIS 18 H HIS 18 3.827 -3.503 5.052 74 HA HIS 18 HA HIS 18 5.688 -3.182 7.186 75 HB2 HIS 18 HB2 HIS 18 4.192 -5.216 6.714 76 HB3 HIS 18 HB3 HIS 18 5.345 -5.641 5.453 77 HD1 HIS 18 HD1 HIS 18 7.161 -7.176 6.178 78 HD2 HIS 18 HD2 HIS 18 5.533 -5.068 9.371 79 HE1 HIS 18 HE1 HIS 18 8.273 -8.095 8.233 80 HE2 HIS 18 HE2 HIS 18 7.119 -6.952 10.156 81 H SER 19 H SER 19 7.856 -2.959 7.067 82 HA SER 19 HA SER 19 8.773 -1.514 4.942 83 HB2 SER 19 HB2 SER 19 9.638 -1.590 7.316 84 HB3 SER 19 HB3 SER 19 10.596 -2.987 6.826 85 HG SER 19 HG SER 19 11.530 -1.624 5.193 86 H SER 20 H SER 20 8.903 -5.004 5.146 87 HA SER 20 HA SER 20 11.168 -5.113 3.338 88 HB2 SER 20 HB2 SER 20 10.793 -7.620 3.628 89 HB3 SER 20 HB3 SER 20 11.226 -6.713 5.077 90 HG SER 20 HG SER 20 9.363 -8.252 5.178 91 H ASN 21 H ASN 21 7.837 -6.491 3.274 92 HA ASN 21 HA ASN 21 7.950 -6.265 0.347 93 HB2 ASN 21 HB2 ASN 21 8.643 -8.548 0.964 94 HB3 ASN 21 HB3 ASN 21 7.123 -8.772 1.819 95 HD21 ASN 21 HD21 ASN 21 7.658 -7.188 -1.297 96 HD22 ASN 21 HD22 ASN 21 6.700 -8.295 -2.215 97 H ASN 22 H ASN 22 5.987 -6.307 3.227 98 HA ASN 22 HA ASN 22 3.592 -6.917 1.696 99 HB2 ASN 22 HB2 ASN 22 3.824 -6.551 4.683 100 HB3 ASN 22 HB3 ASN 22 2.510 -7.318 3.802 101 HD21 ASN 22 HD21 ASN 22 2.768 -9.400 3.033 102 HD22 ASN 22 HD22 ASN 22 4.076 -10.416 3.524 103 H PHE 23 H PHE 23 3.161 -4.980 0.594 104 HA PHE 23 HA PHE 23 2.515 -2.644 2.149 105 HB2 PHE 23 HB2 PHE 23 1.641 -1.895 -0.163 106 HB3 PHE 23 HB3 PHE 23 3.369 -2.029 0.082 107 HD1 PHE 23 HD1 PHE 23 0.456 -3.294 -1.716 108 HD2 PHE 23 HD2 PHE 23 4.599 -3.908 -0.931 109 HE1 PHE 23 HE1 PHE 23 0.601 -4.797 -3.654 110 HE2 PHE 23 HE2 PHE 23 4.745 -5.410 -2.873 111 HZ PHE 23 HZ PHE 23 2.745 -5.856 -4.236 112 H GLY 24 H GLY 24 0.498 -1.958 2.706 113 HA2 GLY 24 HA2 GLY 24 -1.796 -3.516 1.738 114 HA3 GLY 24 HA3 GLY 24 -1.492 -3.489 3.467 115 H ALA 25 H ALA 25 -3.519 -2.526 3.804 116 HA ALA 25 HA ALA 25 -3.519 0.345 3.445 117 HB1 ALA 25 HB1 ALA 25 -4.706 -0.376 1.479 118 HB2 ALA 25 HB2 ALA 25 -5.863 0.315 2.619 119 HB3 ALA 25 HB3 ALA 25 -5.731 -1.438 2.446 120 H ILE 26 H ILE 26 -5.373 1.329 4.684 121 HA ILE 26 HA ILE 26 -6.531 -0.265 6.779 122 HB ILE 26 HB ILE 26 -4.364 -0.074 7.744 123 HG12 ILE 26 HG12 ILE 26 -6.072 2.024 9.088 124 HG13 ILE 26 HG13 ILE 26 -6.423 0.299 9.181 125 HG21 ILE 26 HG21 ILE 26 -4.585 2.907 7.382 126 HG22 ILE 26 HG22 ILE 26 -3.555 1.831 6.440 127 HG23 ILE 26 HG23 ILE 26 -3.261 2.047 8.165 128 HD11 ILE 26 HD11 ILE 26 -4.044 0.058 10.033 129 HD12 ILE 26 HD12 ILE 26 -5.243 0.762 11.118 130 HD13 ILE 26 HD13 ILE 26 -4.090 1.801 10.282 131 H LEU 27 H LEU 27 -8.366 0.675 7.513 132 HA LEU 27 HA LEU 27 -9.137 3.125 6.193 133 HB2 LEU 27 HB2 LEU 27 -10.651 1.085 7.775 134 HB3 LEU 27 HB3 LEU 27 -11.369 2.606 7.298 135 HG LEU 27 HG LEU 27 -10.352 0.447 5.457 136 HD11 LEU 27 HD11 LEU 27 -12.463 -0.047 6.520 137 HD12 LEU 27 HD12 LEU 27 -12.707 0.330 4.810 138 HD13 LEU 27 HD13 LEU 27 -13.082 1.537 6.049 139 HD21 LEU 27 HD21 LEU 27 -11.306 1.844 3.661 140 HD22 LEU 27 HD22 LEU 27 -9.910 2.592 4.448 141 HD23 LEU 27 HD23 LEU 27 -11.539 3.153 4.836 142 H SER 28 H SER 28 -10.199 4.810 7.198 143 HA SER 28 HA SER 28 -9.716 5.224 10.054 144 HB2 SER 28 HB2 SER 28 -8.775 7.099 7.865 145 HB3 SER 28 HB3 SER 28 -8.802 7.499 9.580 146 HG SER 28 HG SER 28 -7.440 5.524 9.800 147 H SER 29 H SER 29 -11.330 6.353 11.006 148 HA SER 29 HA SER 29 -13.674 6.892 9.418 149 HB2 SER 29 HB2 SER 29 -13.146 7.193 12.383 150 HB3 SER 29 HB3 SER 29 -14.719 7.380 11.617 151 HG SER 29 HG SER 29 -14.128 5.132 10.757 152 H THR 30 H THR 30 -11.693 8.797 11.668 153 HA THR 30 HA THR 30 -12.597 11.218 10.278 154 HB THR 30 HB THR 30 -11.708 12.426 12.304 155 HG1 THR 30 HG1 THR 30 -10.373 10.579 12.964 156 HG21 THR 30 HG21 THR 30 -14.095 11.969 12.057 157 HG22 THR 30 HG22 THR 30 -13.610 11.826 13.746 158 HG23 THR 30 HG23 THR 30 -13.876 10.376 12.780 159 H GLY 13 H GLY 13 15.427 -3.068 12.967 160 HA2 GLY 13 HA2 GLY 13 14.283 -4.881 10.922 161 HA3 GLY 13 HA3 GLY 13 13.560 -4.545 12.489 162 H GLY 14 H GLY 14 12.426 -4.052 9.867 163 HA2 GLY 14 HA2 GLY 14 12.545 -1.158 9.548 164 HA3 GLY 14 HA3 GLY 14 11.676 -2.286 8.518 165 H GLU 15 H GLU 15 10.294 -0.129 9.075 166 HA GLU 15 HA GLU 15 8.439 -0.974 11.199 167 HB2 GLU 15 HB2 GLU 15 7.925 1.370 11.617 168 HB3 GLU 15 HB3 GLU 15 9.647 1.079 11.816 169 HG2 GLU 15 HG2 GLU 15 10.035 1.988 9.564 170 HG3 GLU 15 HG3 GLU 15 8.314 2.342 9.436 171 H ILE 16 H ILE 16 6.209 -0.458 10.840 172 HA ILE 16 HA ILE 16 5.439 -0.769 8.065 173 HB ILE 16 HB ILE 16 3.699 -0.569 10.533 174 HG12 ILE 16 HG12 ILE 16 4.580 -3.027 9.006 175 HG13 ILE 16 HG13 ILE 16 5.270 -2.507 10.539 176 HG21 ILE 16 HG21 ILE 16 3.067 -1.461 7.722 177 HG22 ILE 16 HG22 ILE 16 2.470 -0.008 8.524 178 HG23 ILE 16 HG23 ILE 16 1.973 -1.600 9.098 179 HD11 ILE 16 HD11 ILE 16 3.122 -2.813 11.626 180 HD12 ILE 16 HD12 ILE 16 3.644 -4.297 10.829 181 HD13 ILE 16 HD13 ILE 16 2.401 -3.289 10.089 182 H VAL 17 H VAL 17 5.542 1.071 6.911 183 HA VAL 17 HA VAL 17 4.852 3.584 8.210 184 HB VAL 17 HB VAL 17 5.589 4.492 5.855 185 HG11 VAL 17 HG11 VAL 17 7.520 3.420 7.913 186 HG12 VAL 17 HG12 VAL 17 6.682 4.969 7.987 187 HG13 VAL 17 HG13 VAL 17 7.877 4.673 6.727 188 HG21 VAL 17 HG21 VAL 17 7.394 3.140 4.890 189 HG22 VAL 17 HG22 VAL 17 5.819 2.365 4.753 190 HG23 VAL 17 HG23 VAL 17 6.968 1.819 5.977 191 H TYR 18 H TYR 18 3.094 4.630 7.915 192 HA TYR 18 HA TYR 18 1.112 3.800 5.963 193 HB2 TYR 18 HB2 TYR 18 0.945 6.029 8.002 194 HB3 TYR 18 HB3 TYR 18 -0.391 5.326 7.104 195 HD1 TYR 18 HD1 TYR 18 -1.525 3.414 7.918 196 HD2 TYR 18 HD2 TYR 18 2.108 4.654 9.746 197 HE1 TYR 18 HE1 TYR 18 -1.943 1.874 9.776 198 HE2 TYR 18 HE2 TYR 18 1.707 3.102 11.607 199 HH TYR 18 HH TYR 18 -0.362 2.035 12.682 200 H LEU 19 H LEU 19 1.357 4.637 3.935 201 HA LEU 19 HA LEU 19 1.927 7.524 3.759 202 HB2 LEU 19 HB2 LEU 19 2.062 5.529 1.514 203 HB3 LEU 19 HB3 LEU 19 2.626 7.165 1.486 204 HG LEU 19 HG LEU 19 4.488 5.786 1.507 205 HD11 LEU 19 HD11 LEU 19 5.591 6.408 3.558 206 HD12 LEU 19 HD12 LEU 19 4.019 6.806 4.258 207 HD13 LEU 19 HD13 LEU 19 4.623 7.714 2.873 208 HD21 LEU 19 HD21 LEU 19 4.943 4.063 3.177 209 HD22 LEU 19 HD22 LEU 19 3.485 3.702 2.249 210 HD23 LEU 19 HD23 LEU 19 3.353 4.341 3.887 211 HA PRO 20 HA PRO 20 -2.436 7.221 2.354 212 HB2 PRO 20 HB2 PRO 20 -3.533 9.015 4.001 213 HB3 PRO 20 HB3 PRO 20 -3.188 7.366 4.531 214 HG2 PRO 20 HG2 PRO 20 -1.725 9.890 5.114 215 HG3 PRO 20 HG3 PRO 20 -1.971 8.470 6.142 216 HD2 PRO 20 HD2 PRO 20 0.329 9.065 4.645 217 HD3 PRO 20 HD3 PRO 20 -0.056 7.509 5.404 218 H ASN 21 H ASN 21 -0.229 9.881 2.770 219 HA ASN 21 HA ASN 21 -1.956 11.761 1.373 220 HB2 ASN 21 HB2 ASN 21 0.802 12.078 2.568 221 HB3 ASN 21 HB3 ASN 21 -0.073 13.371 1.759 222 HD21 ASN 21 HD21 ASN 21 -0.176 14.668 3.529 223 HD22 ASN 21 HD22 ASN 21 -1.138 14.307 4.924 224 H LEU 22 H LEU 22 -0.008 9.355 0.377 225 HA LEU 22 HA LEU 22 1.477 10.647 -1.688 226 HB2 LEU 22 HB2 LEU 22 0.677 7.767 -1.316 227 HB3 LEU 22 HB3 LEU 22 1.699 8.331 -2.621 228 HG LEU 22 HG LEU 22 2.337 8.386 0.318 229 HD11 LEU 22 HD11 LEU 22 3.545 6.898 -2.007 230 HD12 LEU 22 HD12 LEU 22 2.551 6.200 -0.728 231 HD13 LEU 22 HD13 LEU 22 4.137 6.868 -0.348 232 HD21 LEU 22 HD21 LEU 22 3.217 10.376 -0.712 233 HD22 LEU 22 HD22 LEU 22 3.956 9.414 -1.992 234 HD23 LEU 22 HD23 LEU 22 4.502 9.234 -0.315 235 H ASN 23 H ASN 23 1.125 10.590 -3.887 236 HA ASN 23 HA ASN 23 -1.529 10.939 -4.815 237 HB2 ASN 23 HB2 ASN 23 0.816 10.197 -6.567 238 HB3 ASN 23 HB3 ASN 23 -0.598 11.144 -6.997 239 HD21 ASN 23 HD21 ASN 23 2.321 11.626 -7.098 240 HD22 ASN 23 HD22 ASN 23 2.551 13.136 -6.295 241 HA PRO 24 HA PRO 24 -2.868 6.664 -4.998 242 HB2 PRO 24 HB2 PRO 24 -4.493 7.950 -7.160 243 HB3 PRO 24 HB3 PRO 24 -5.002 6.839 -5.889 244 HG2 PRO 24 HG2 PRO 24 -5.510 9.420 -5.653 245 HG3 PRO 24 HG3 PRO 24 -4.960 8.489 -4.246 246 HD2 PRO 24 HD2 PRO 24 -3.459 10.429 -5.939 247 HD3 PRO 24 HD3 PRO 24 -3.321 10.103 -4.200 248 H ASP 25 H ASP 25 -2.235 8.584 -7.882 249 HA ASP 25 HA ASP 25 -1.896 6.387 -9.635 250 HB2 ASP 25 HB2 ASP 25 -1.031 9.268 -9.849 251 HB3 ASP 25 HB3 ASP 25 -0.826 8.095 -11.143 252 H GLN 26 H GLN 26 0.396 8.270 -7.674 253 HA GLN 26 HA GLN 26 2.620 6.988 -8.988 254 HB2 GLN 26 HB2 GLN 26 4.054 8.418 -7.884 255 HB3 GLN 26 HB3 GLN 26 2.602 9.391 -8.042 256 HG2 GLN 26 HG2 GLN 26 2.059 9.080 -5.745 257 HG3 GLN 26 HG3 GLN 26 3.330 7.875 -5.554 258 HE21 GLN 26 HE21 GLN 26 2.934 10.316 -4.077 259 HE22 GLN 26 HE22 GLN 26 4.338 11.289 -4.324 260 H LEU 27 H LEU 27 0.641 6.316 -6.248 261 HA LEU 27 HA LEU 27 2.260 4.543 -4.848 262 HB2 LEU 27 HB2 LEU 27 -0.683 4.384 -5.524 263 HB3 LEU 27 HB3 LEU 27 0.115 3.216 -4.493 264 HG LEU 27 HG LEU 27 -0.056 6.165 -3.919 265 HD11 LEU 27 HD11 LEU 27 -2.228 4.956 -3.889 266 HD12 LEU 27 HD12 LEU 27 -1.752 5.634 -2.333 267 HD13 LEU 27 HD13 LEU 27 -1.569 3.904 -2.636 268 HD21 LEU 27 HD21 LEU 27 0.689 5.452 -1.683 269 HD22 LEU 27 HD22 LEU 27 1.885 5.126 -2.939 270 HD23 LEU 27 HD23 LEU 27 0.888 3.812 -2.305 271 H CYS 28 H CYS 28 0.335 4.020 -7.757 272 HA CYS 28 HA CYS 28 0.921 1.350 -8.235 273 HB2 CYS 28 HB2 CYS 28 -0.750 2.621 -9.504 274 HB3 CYS 28 HB3 CYS 28 0.527 3.584 -10.239 275 H ALA 29 H ALA 29 2.773 4.249 -8.944 276 HA ALA 29 HA ALA 29 4.749 3.050 -10.560 277 HB1 ALA 29 HB1 ALA 29 6.032 5.084 -10.175 278 HB2 ALA 29 HB2 ALA 29 4.947 5.533 -8.858 279 HB3 ALA 29 HB3 ALA 29 4.344 5.465 -10.513 280 H PHE 30 H PHE 30 4.718 3.855 -7.072 281 HA PHE 30 HA PHE 30 7.354 2.842 -6.676 282 HB2 PHE 30 HB2 PHE 30 5.170 3.675 -4.786 283 HB3 PHE 30 HB3 PHE 30 6.681 2.978 -4.203 284 HD1 PHE 30 HD1 PHE 30 5.126 5.854 -5.826 285 HD2 PHE 30 HD2 PHE 30 8.761 4.173 -4.398 286 HE1 PHE 30 HE1 PHE 30 6.211 8.056 -6.008 287 HE2 PHE 30 HE2 PHE 30 9.855 6.370 -4.574 288 HZ PHE 30 HZ PHE 30 8.580 8.313 -5.382 289 H ILE 31 H ILE 31 4.128 1.492 -6.205 290 HA ILE 31 HA ILE 31 4.972 -0.925 -5.028 291 HB ILE 31 HB ILE 31 2.529 -0.364 -6.703 292 HG12 ILE 31 HG12 ILE 31 2.790 -0.597 -3.701 293 HG13 ILE 31 HG13 ILE 31 2.859 0.938 -4.558 294 HG21 ILE 31 HG21 ILE 31 1.593 -2.384 -5.642 295 HG22 ILE 31 HG22 ILE 31 3.170 -2.719 -4.931 296 HG23 ILE 31 HG23 ILE 31 2.969 -2.743 -6.683 297 HD11 ILE 31 HD11 ILE 31 0.610 0.637 -5.354 298 HD12 ILE 31 HD12 ILE 31 0.653 0.469 -3.598 299 HD13 ILE 31 HD13 ILE 31 0.536 -0.966 -4.621 300 H HIS 32 H HIS 32 4.552 0.071 -8.351 301 HA HIS 32 HA HIS 32 5.208 -2.368 -9.597 302 HB2 HIS 32 HB2 HIS 32 4.248 -0.517 -10.869 303 HB3 HIS 32 HB3 HIS 32 5.663 0.475 -10.544 304 HD1 HIS 32 HD1 HIS 32 7.402 0.458 -12.320 305 HD2 HIS 32 HD2 HIS 32 4.948 -2.896 -12.498 306 HE1 HIS 32 HE1 HIS 32 8.137 -0.815 -14.360 307 HE2 HIS 32 HE2 HIS 32 6.706 -2.886 -14.396 308 H SER 33 H SER 33 7.146 0.240 -8.291 309 HA SER 33 HA SER 33 9.631 -0.676 -9.315 310 HB2 SER 33 HB2 SER 33 9.086 1.141 -6.959 311 HB3 SER 33 HB3 SER 33 10.626 0.965 -7.800 312 HG SER 33 HG SER 33 8.269 1.721 -9.177 313 H ILE 34 H ILE 34 7.743 -1.508 -6.501 314 HA ILE 34 HA ILE 34 9.838 -2.773 -5.033 315 HB ILE 34 HB ILE 34 6.866 -3.350 -4.979 316 HG12 ILE 34 HG12 ILE 34 7.379 -1.014 -4.400 317 HG13 ILE 34 HG13 ILE 34 6.827 -1.903 -2.985 318 HG21 ILE 34 HG21 ILE 34 7.294 -4.340 -2.778 319 HG22 ILE 34 HG22 ILE 34 9.022 -4.054 -2.985 320 HG23 ILE 34 HG23 ILE 34 8.184 -5.181 -4.049 321 HD11 ILE 34 HD11 ILE 34 9.679 -1.205 -3.650 322 HD12 ILE 34 HD12 ILE 34 9.157 -2.144 -2.252 323 HD13 ILE 34 HD13 ILE 34 8.673 -0.455 -2.412 324 H HIS 35 H HIS 35 7.546 -3.806 -7.466 325 HA HIS 35 HA HIS 35 8.252 -6.583 -7.281 326 HB2 HIS 35 HB2 HIS 35 6.001 -5.712 -7.946 327 HB3 HIS 35 HB3 HIS 35 6.716 -5.164 -9.458 328 HD1 HIS 35 HD1 HIS 35 6.837 -6.824 -11.327 329 HD2 HIS 35 HD2 HIS 35 6.076 -8.623 -7.657 330 HE1 HIS 35 HE1 HIS 35 6.381 -9.238 -11.840 331 HE2 HIS 35 HE2 HIS 35 5.717 -10.251 -9.635 332 H ASP 36 H ASP 36 9.109 -3.844 -9.244 333 HA ASP 36 HA ASP 36 10.595 -5.421 -11.150 334 HB2 ASP 36 HB2 ASP 36 9.393 -3.351 -11.796 335 HB3 ASP 36 HB3 ASP 36 10.502 -2.424 -10.792 336 H ASP 37 H ASP 37 11.392 -3.081 -8.572 337 HA ASP 37 HA ASP 37 14.115 -4.146 -8.546 338 HB2 ASP 37 HB2 ASP 37 12.967 -1.432 -7.931 339 HB3 ASP 37 HB3 ASP 37 14.523 -1.931 -7.319 340 HA PRO 38 HA PRO 38 11.830 -5.320 -4.656 341 HB2 PRO 38 HB2 PRO 38 12.719 -7.853 -4.436 342 HB3 PRO 38 HB3 PRO 38 11.383 -7.410 -5.500 343 HG2 PRO 38 HG2 PRO 38 14.264 -7.862 -6.186 344 HG3 PRO 38 HG3 PRO 38 12.813 -8.439 -7.028 345 HD2 PRO 38 HD2 PRO 38 14.216 -6.269 -7.850 346 HD3 PRO 38 HD3 PRO 38 12.461 -6.413 -8.072 347 H SER 39 H SER 39 15.205 -5.664 -5.526 348 HA SER 39 HA SER 39 16.127 -6.021 -2.840 349 HB2 SER 39 HB2 SER 39 17.669 -5.113 -5.284 350 HB3 SER 39 HB3 SER 39 18.359 -5.728 -3.782 351 HG SER 39 HG SER 39 16.850 -7.627 -4.354 352 H GLN 40 H GLN 40 15.408 -3.312 -4.897 353 HA GLN 40 HA GLN 40 16.703 -1.394 -3.187 354 HB2 GLN 40 HB2 GLN 40 14.779 -0.884 -5.453 355 HB3 GLN 40 HB3 GLN 40 15.872 0.266 -4.712 356 HG2 GLN 40 HG2 GLN 40 17.748 -1.205 -5.493 357 HG3 GLN 40 HG3 GLN 40 16.556 -2.061 -6.459 358 HE21 GLN 40 HE21 GLN 40 15.029 0.421 -6.908 359 HE22 GLN 40 HE22 GLN 40 15.913 1.300 -8.101 360 H SER 41 H SER 41 13.927 -3.125 -2.935 361 HA SER 41 HA SER 41 11.756 -1.623 -2.499 362 HB2 SER 41 HB2 SER 41 11.898 -4.078 -2.168 363 HB3 SER 41 HB3 SER 41 12.679 -3.802 -0.613 364 HG SER 41 HG SER 41 10.699 -3.811 0.100 365 H ALA 42 H ALA 42 14.335 -2.036 -0.081 366 HA ALA 42 HA ALA 42 13.284 -0.642 2.051 367 HB1 ALA 42 HB1 ALA 42 15.416 -1.907 2.033 368 HB2 ALA 42 HB2 ALA 42 15.540 -0.326 2.803 369 HB3 ALA 42 HB3 ALA 42 16.152 -0.560 1.164 370 H ASN 43 H ASN 43 14.954 0.633 -0.768 371 HA ASN 43 HA ASN 43 14.883 3.345 0.226 372 HB2 ASN 43 HB2 ASN 43 16.767 2.520 -1.174 373 HB3 ASN 43 HB3 ASN 43 15.652 2.357 -2.527 374 HD21 ASN 43 HD21 ASN 43 14.998 4.171 -3.633 375 HD22 ASN 43 HD22 ASN 43 15.683 5.734 -3.368 376 H LEU 44 H LEU 44 13.113 1.390 -2.130 377 HA LEU 44 HA LEU 44 11.706 3.487 -3.342 378 HB2 LEU 44 HB2 LEU 44 11.150 0.565 -3.054 379 HB3 LEU 44 HB3 LEU 44 9.894 1.616 -3.675 380 HG LEU 44 HG LEU 44 10.836 0.920 -5.640 381 HD11 LEU 44 HD11 LEU 44 11.013 3.389 -5.474 382 HD12 LEU 44 HD12 LEU 44 12.172 2.658 -6.586 383 HD13 LEU 44 HD13 LEU 44 12.699 3.191 -4.989 384 HD21 LEU 44 HD21 LEU 44 12.539 -0.488 -4.639 385 HD22 LEU 44 HD22 LEU 44 13.553 0.926 -4.346 386 HD23 LEU 44 HD23 LEU 44 13.187 0.428 -5.998 387 H LEU 45 H LEU 45 10.969 1.645 -0.379 388 HA LEU 45 HA LEU 45 8.534 3.206 -0.088 389 HB2 LEU 45 HB2 LEU 45 7.864 1.812 1.575 390 HB3 LEU 45 HB3 LEU 45 8.925 0.733 0.699 391 HG LEU 45 HG LEU 45 9.999 2.276 3.030 392 HD11 LEU 45 HD11 LEU 45 7.929 1.268 3.836 393 HD12 LEU 45 HD12 LEU 45 9.336 0.438 4.504 394 HD13 LEU 45 HD13 LEU 45 8.425 -0.294 3.181 395 HD21 LEU 45 HD21 LEU 45 10.579 -0.451 1.893 396 HD22 LEU 45 HD22 LEU 45 11.414 0.304 3.251 397 HD23 LEU 45 HD23 LEU 45 11.542 1.004 1.637 398 H ALA 46 H ALA 46 11.816 3.444 0.776 399 HA ALA 46 HA ALA 46 11.659 5.185 2.995 400 HB1 ALA 46 HB1 ALA 46 13.735 5.204 0.804 401 HB2 ALA 46 HB2 ALA 46 13.747 4.092 2.179 402 HB3 ALA 46 HB3 ALA 46 13.916 5.829 2.448 403 H GLU 47 H GLU 47 11.819 5.729 -0.468 404 HA GLU 47 HA GLU 47 11.635 8.510 -0.531 405 HB2 GLU 47 HB2 GLU 47 10.528 6.459 -2.465 406 HB3 GLU 47 HB3 GLU 47 10.759 8.173 -2.820 407 HG2 GLU 47 HG2 GLU 47 13.131 7.950 -2.458 408 HG3 GLU 47 HG3 GLU 47 12.919 6.243 -2.046 409 H ALA 48 H ALA 48 9.142 6.047 -0.655 410 HA ALA 48 HA ALA 48 6.873 7.603 -0.797 411 HB1 ALA 48 HB1 ALA 48 7.009 5.094 -0.828 412 HB2 ALA 48 HB2 ALA 48 5.658 5.769 0.084 413 HB3 ALA 48 HB3 ALA 48 7.073 5.153 0.936 414 H LYS 49 H LYS 49 8.711 6.722 2.104 415 HA LYS 49 HA LYS 49 7.069 7.897 4.037 416 HB2 LYS 49 HB2 LYS 49 10.085 7.785 4.079 417 HB3 LYS 49 HB3 LYS 49 9.038 7.970 5.468 418 HG2 LYS 49 HG2 LYS 49 8.191 5.736 5.138 419 HG3 LYS 49 HG3 LYS 49 9.187 5.546 3.698 420 HD2 LYS 49 HD2 LYS 49 11.198 5.932 5.105 421 HD3 LYS 49 HD3 LYS 49 10.154 5.965 6.526 422 HE2 LYS 49 HE2 LYS 49 9.440 3.670 6.047 423 HE3 LYS 49 HE3 LYS 49 10.489 3.642 4.631 424 HZ1 LYS 49 HZ1 LYS 49 11.430 4.035 7.419 425 HZ2 LYS 49 HZ2 LYS 49 12.401 3.876 6.043 426 HZ3 LYS 49 HZ3 LYS 49 11.481 2.567 6.585 427 H LYS 50 H LYS 50 9.732 9.262 2.155 428 HA LYS 50 HA LYS 50 9.669 11.787 3.503 429 HB2 LYS 50 HB2 LYS 50 11.672 10.722 2.375 430 HB3 LYS 50 HB3 LYS 50 10.944 11.163 0.838 431 HG2 LYS 50 HG2 LYS 50 11.024 13.525 1.492 432 HG3 LYS 50 HG3 LYS 50 11.782 13.066 3.018 433 HD2 LYS 50 HD2 LYS 50 12.915 12.562 0.267 434 HD3 LYS 50 HD3 LYS 50 13.432 13.832 1.372 435 HE2 LYS 50 HE2 LYS 50 14.195 12.187 2.969 436 HE3 LYS 50 HE3 LYS 50 13.566 10.879 1.971 437 HZ1 LYS 50 HZ1 LYS 50 15.136 11.491 0.242 438 HZ2 LYS 50 HZ2 LYS 50 15.943 11.129 1.682 439 HZ3 LYS 50 HZ3 LYS 50 15.748 12.738 1.206 440 H LEU 51 H LEU 51 8.408 10.472 0.522 441 HA LEU 51 HA LEU 51 7.385 12.769 -0.674 442 HB2 LEU 51 HB2 LEU 51 7.003 9.872 -0.808 443 HB3 LEU 51 HB3 LEU 51 5.590 10.785 -1.256 444 HG LEU 51 HG LEU 51 6.867 11.927 -2.987 445 HD11 LEU 51 HD11 LEU 51 9.116 11.176 -3.577 446 HD12 LEU 51 HD12 LEU 51 9.131 10.091 -2.188 447 HD13 LEU 51 HD13 LEU 51 9.088 11.839 -1.944 448 HD21 LEU 51 HD21 LEU 51 7.032 8.930 -3.074 449 HD22 LEU 51 HD22 LEU 51 7.144 10.000 -4.469 450 HD23 LEU 51 HD23 LEU 51 5.647 9.919 -3.538 451 H ASN 52 H ASN 52 5.696 10.362 1.338 452 HA ASN 52 HA ASN 52 3.290 11.730 1.647 453 HB2 ASN 52 HB2 ASN 52 3.595 9.376 2.221 454 HB3 ASN 52 HB3 ASN 52 4.667 9.820 3.544 455 HD21 ASN 52 HD21 ASN 52 3.809 10.550 5.451 456 HD22 ASN 52 HD22 ASN 52 2.114 10.528 5.787 457 H ASP 53 H ASP 53 6.270 11.898 3.516 458 HA ASP 53 HA ASP 53 5.253 13.466 5.641 459 HB2 ASP 53 HB2 ASP 53 7.345 12.135 5.745 460 HB3 ASP 53 HB3 ASP 53 8.099 13.272 4.634 461 H ALA 54 H ALA 54 6.773 14.272 2.565 462 HA ALA 54 HA ALA 54 6.934 17.074 3.046 463 HB1 ALA 54 HB1 ALA 54 6.885 15.594 0.418 464 HB2 ALA 54 HB2 ALA 54 8.324 15.936 1.377 465 HB3 ALA 54 HB3 ALA 54 7.402 17.260 0.667 466 H GLN 55 H GLN 55 4.526 14.956 1.592 467 HA GLN 55 HA GLN 55 2.826 17.244 0.957 468 HB2 GLN 55 HB2 GLN 55 2.488 14.298 0.378 469 HB3 GLN 55 HB3 GLN 55 1.358 15.550 -0.121 470 HG2 GLN 55 HG2 GLN 55 3.128 16.602 -1.449 471 HG3 GLN 55 HG3 GLN 55 4.236 15.319 -0.970 472 HE21 GLN 55 HE21 GLN 55 4.563 14.681 -3.082 473 HE22 GLN 55 HE22 GLN 55 3.362 13.838 -3.997 474 H ALA 56 H ALA 56 3.421 16.202 3.739 475 HA ALA 56 HA ALA 56 0.805 15.399 4.676 476 HB1 ALA 56 HB1 ALA 56 3.475 15.856 5.942 477 HB2 ALA 56 HB2 ALA 56 2.564 14.352 5.803 478 HB3 ALA 56 HB3 ALA 56 2.028 15.610 6.921 479 H GLY 13 H GLY 13 -14.249 0.725 10.930 480 HA2 GLY 13 HA2 GLY 13 -12.898 2.709 9.193 481 HA3 GLY 13 HA3 GLY 13 -13.971 3.088 10.534 482 H GLY 14 H GLY 14 -11.019 1.240 9.802 483 HA2 GLY 14 HA2 GLY 14 -9.109 2.249 11.250 484 HA3 GLY 14 HA3 GLY 14 -10.132 1.705 12.574 485 H GLU 15 H GLU 15 -10.613 -0.429 10.137 486 HA GLU 15 HA GLU 15 -8.845 -2.383 11.307 487 HB2 GLU 15 HB2 GLU 15 -9.807 -3.924 9.616 488 HB3 GLU 15 HB3 GLU 15 -11.003 -3.172 10.638 489 HG2 GLU 15 HG2 GLU 15 -10.337 -2.100 7.951 490 HG3 GLU 15 HG3 GLU 15 -11.493 -3.402 8.151 491 H ILE 16 H ILE 16 -7.389 -3.642 10.070 492 HA ILE 16 HA ILE 16 -5.955 -1.994 8.109 493 HB ILE 16 HB ILE 16 -4.917 -4.502 9.433 494 HG12 ILE 16 HG12 ILE 16 -4.775 -1.626 10.326 495 HG13 ILE 16 HG13 ILE 16 -5.341 -3.012 11.241 496 HG21 ILE 16 HG21 ILE 16 -3.817 -3.781 7.355 497 HG22 ILE 16 HG22 ILE 16 -2.749 -3.652 8.751 498 HG23 ILE 16 HG23 ILE 16 -3.503 -2.206 8.081 499 HD11 ILE 16 HD11 ILE 16 -3.183 -2.295 12.043 500 HD12 ILE 16 HD12 ILE 16 -2.500 -2.455 10.423 501 HD13 ILE 16 HD13 ILE 16 -3.050 -3.888 11.297 502 H VAL 17 H VAL 17 -5.747 -2.626 6.023 503 HA VAL 17 HA VAL 17 -7.031 -5.190 5.293 504 HB VAL 17 HB VAL 17 -7.255 -2.534 3.854 505 HG11 VAL 17 HG11 VAL 17 -7.391 -4.715 2.500 506 HG12 VAL 17 HG12 VAL 17 -8.653 -3.493 2.278 507 HG13 VAL 17 HG13 VAL 17 -8.958 -4.924 3.285 508 HG21 VAL 17 HG21 VAL 17 -9.256 -4.000 5.531 509 HG22 VAL 17 HG22 VAL 17 -9.615 -2.609 4.514 510 HG23 VAL 17 HG23 VAL 17 -8.507 -2.440 5.874 511 H TYR 18 H TYR 18 -5.028 -6.236 5.039 512 HA TYR 18 HA TYR 18 -2.921 -4.970 3.495 513 HB2 TYR 18 HB2 TYR 18 -3.125 -7.211 5.363 514 HB3 TYR 18 HB3 TYR 18 -2.076 -7.547 3.991 515 HD1 TYR 18 HD1 TYR 18 0.067 -6.558 3.817 516 HD2 TYR 18 HD2 TYR 18 -2.619 -5.272 6.850 517 HE1 TYR 18 HE1 TYR 18 1.894 -5.326 4.903 518 HE2 TYR 18 HE2 TYR 18 -0.799 -4.029 7.941 519 HH TYR 18 HH TYR 18 1.645 -4.074 8.051 520 H LEU 19 H LEU 19 -2.591 -5.250 1.375 521 HA LEU 19 HA LEU 19 -3.487 -7.756 0.160 522 HB2 LEU 19 HB2 LEU 19 -4.057 -4.986 -0.874 523 HB3 LEU 19 HB3 LEU 19 -4.173 -6.414 -1.879 524 HG LEU 19 HG LEU 19 -5.788 -7.252 0.000 525 HD11 LEU 19 HD11 LEU 19 -7.140 -5.351 0.837 526 HD12 LEU 19 HD12 LEU 19 -5.842 -4.264 0.339 527 HD13 LEU 19 HD13 LEU 19 -5.546 -5.492 1.573 528 HD21 LEU 19 HD21 LEU 19 -6.335 -6.863 -2.330 529 HD22 LEU 19 HD22 LEU 19 -6.540 -5.140 -1.986 530 HD23 LEU 19 HD23 LEU 19 -7.626 -6.326 -1.248 531 HA PRO 20 HA PRO 20 0.766 -6.583 -1.323 532 HB2 PRO 20 HB2 PRO 20 2.245 -8.438 -0.085 533 HB3 PRO 20 HB3 PRO 20 1.778 -6.940 0.728 534 HG2 PRO 20 HG2 PRO 20 0.627 -9.681 0.998 535 HG3 PRO 20 HG3 PRO 20 0.927 -8.463 2.249 536 HD2 PRO 20 HD2 PRO 20 -1.533 -8.948 1.068 537 HD3 PRO 20 HD3 PRO 20 -1.081 -7.444 1.893 538 H ASN 21 H ASN 21 -1.427 -9.011 -1.539 539 HA ASN 21 HA ASN 21 0.162 -10.807 -3.197 540 HB2 ASN 21 HB2 ASN 21 -1.688 -11.461 -1.441 541 HB3 ASN 21 HB3 ASN 21 -2.791 -11.108 -2.764 542 HD21 ASN 21 HD21 ASN 21 -2.292 -13.616 -1.442 543 HD22 ASN 21 HD22 ASN 21 -1.752 -14.716 -2.663 544 H LEU 22 H LEU 22 -1.783 -8.074 -3.483 545 HA LEU 22 HA LEU 22 -2.791 -8.474 -6.104 546 HB2 LEU 22 HB2 LEU 22 -2.256 -5.998 -4.491 547 HB3 LEU 22 HB3 LEU 22 -2.915 -5.951 -6.112 548 HG LEU 22 HG LEU 22 -4.224 -7.222 -3.703 549 HD11 LEU 22 HD11 LEU 22 -4.971 -4.786 -5.316 550 HD12 LEU 22 HD12 LEU 22 -4.215 -4.758 -3.723 551 HD13 LEU 22 HD13 LEU 22 -5.830 -5.431 -3.921 552 HD21 LEU 22 HD21 LEU 22 -5.113 -7.028 -6.573 553 HD22 LEU 22 HD22 LEU 22 -6.161 -7.459 -5.222 554 HD23 LEU 22 HD23 LEU 22 -4.794 -8.493 -5.641 555 H ASN 23 H ASN 23 -1.976 -7.827 -8.053 556 HA ASN 23 HA ASN 23 0.912 -7.571 -8.188 557 HB2 ASN 23 HB2 ASN 23 -0.720 -7.371 -10.665 558 HB3 ASN 23 HB3 ASN 23 0.748 -8.296 -10.358 559 HD21 ASN 23 HD21 ASN 23 -2.685 -8.278 -10.279 560 HD22 ASN 23 HD22 ASN 23 -2.916 -9.943 -9.902 561 HA PRO 24 HA PRO 24 1.214 -3.188 -8.141 562 HB2 PRO 24 HB2 PRO 24 2.786 -3.636 -10.651 563 HB3 PRO 24 HB3 PRO 24 3.156 -2.603 -9.264 564 HG2 PRO 24 HG2 PRO 24 4.321 -4.984 -9.536 565 HG3 PRO 24 HG3 PRO 24 3.823 -4.386 -7.944 566 HD2 PRO 24 HD2 PRO 24 2.636 -6.525 -9.611 567 HD3 PRO 24 HD3 PRO 24 2.593 -6.307 -7.852 568 H ASP 25 H ASP 25 0.946 -4.394 -11.499 569 HA ASP 25 HA ASP 25 -0.324 -2.016 -12.411 570 HB2 ASP 25 HB2 ASP 25 1.030 -3.417 -13.895 571 HB3 ASP 25 HB3 ASP 25 -0.123 -4.733 -13.721 572 H GLN 26 H GLN 26 -1.517 -4.769 -10.805 573 HA GLN 26 HA GLN 26 -4.172 -4.600 -11.952 574 HB2 GLN 26 HB2 GLN 26 -3.704 -6.810 -11.689 575 HB3 GLN 26 HB3 GLN 26 -2.588 -6.523 -10.365 576 HG2 GLN 26 HG2 GLN 26 -4.362 -7.816 -9.531 577 HG3 GLN 26 HG3 GLN 26 -4.542 -6.191 -8.896 578 HE21 GLN 26 HE21 GLN 26 -5.794 -8.553 -11.128 579 HE22 GLN 26 HE22 GLN 26 -7.336 -7.811 -11.366 580 H LEU 27 H LEU 27 -2.502 -4.021 -8.879 581 HA LEU 27 HA LEU 27 -4.889 -3.278 -7.511 582 HB2 LEU 27 HB2 LEU 27 -3.311 -2.350 -5.776 583 HB3 LEU 27 HB3 LEU 27 -3.214 -4.062 -6.102 584 HG LEU 27 HG LEU 27 -1.245 -3.383 -7.673 585 HD11 LEU 27 HD11 LEU 27 -1.344 -1.035 -5.793 586 HD12 LEU 27 HD12 LEU 27 -1.594 -0.984 -7.538 587 HD13 LEU 27 HD13 LEU 27 -0.018 -1.431 -6.885 588 HD21 LEU 27 HD21 LEU 27 0.292 -3.740 -5.863 589 HD22 LEU 27 HD22 LEU 27 -1.131 -4.752 -5.613 590 HD23 LEU 27 HD23 LEU 27 -0.924 -3.267 -4.675 591 H CYS 28 H CYS 28 -2.871 -1.635 -9.710 592 HA CYS 28 HA CYS 28 -3.091 1.025 -9.135 593 HB2 CYS 28 HB2 CYS 28 -3.610 -0.286 -11.812 594 HB3 CYS 28 HB3 CYS 28 -3.292 1.427 -11.580 595 H ALA 29 H ALA 29 -5.606 -0.967 -10.693 596 HA ALA 29 HA ALA 29 -7.534 1.066 -10.917 597 HB1 ALA 29 HB1 ALA 29 -7.921 -1.918 -10.717 598 HB2 ALA 29 HB2 ALA 29 -7.677 -0.992 -12.198 599 HB3 ALA 29 HB3 ALA 29 -9.143 -0.762 -11.245 600 H PHE 30 H PHE 30 -6.827 -1.228 -8.331 601 HA PHE 30 HA PHE 30 -9.118 -0.763 -6.778 602 HB2 PHE 30 HB2 PHE 30 -8.083 -2.631 -6.014 603 HB3 PHE 30 HB3 PHE 30 -6.481 -2.040 -6.427 604 HD1 PHE 30 HD1 PHE 30 -9.199 -1.589 -3.919 605 HD2 PHE 30 HD2 PHE 30 -5.045 -1.377 -4.790 606 HE1 PHE 30 HE1 PHE 30 -8.731 -1.155 -1.542 607 HE2 PHE 30 HE2 PHE 30 -4.562 -0.943 -2.413 608 HZ PHE 30 HZ PHE 30 -6.407 -0.832 -0.786 609 H ILE 31 H ILE 31 -5.850 0.652 -6.567 610 HA ILE 31 HA ILE 31 -6.411 2.434 -4.463 611 HB ILE 31 HB ILE 31 -4.397 2.676 -6.705 612 HG12 ILE 31 HG12 ILE 31 -4.113 1.752 -3.831 613 HG13 ILE 31 HG13 ILE 31 -4.067 0.713 -5.266 614 HG21 ILE 31 HG21 ILE 31 -3.286 4.359 -5.393 615 HG22 ILE 31 HG22 ILE 31 -4.489 4.210 -4.113 616 HG23 ILE 31 HG23 ILE 31 -4.951 4.855 -5.688 617 HD11 ILE 31 HD11 ILE 31 -1.833 1.104 -4.461 618 HD12 ILE 31 HD12 ILE 31 -2.070 2.852 -4.521 619 HD13 ILE 31 HD13 ILE 31 -2.048 1.910 -6.015 620 H HIS 32 H HIS 32 -6.547 2.833 -7.970 621 HA HIS 32 HA HIS 32 -7.324 5.512 -8.074 622 HB2 HIS 32 HB2 HIS 32 -7.112 3.323 -9.899 623 HB3 HIS 32 HB3 HIS 32 -8.651 4.131 -10.169 624 HD1 HIS 32 HD1 HIS 32 -8.585 6.213 -11.538 625 HD2 HIS 32 HD2 HIS 32 -4.838 5.155 -10.081 626 HE1 HIS 32 HE1 HIS 32 -6.967 7.811 -12.609 627 HE2 HIS 32 HE2 HIS 32 -4.725 7.256 -11.591 628 H SER 33 H SER 33 -9.246 2.598 -7.592 629 HA SER 33 HA SER 33 -11.779 3.775 -7.942 630 HB2 SER 33 HB2 SER 33 -11.012 1.367 -6.275 631 HB3 SER 33 HB3 SER 33 -12.651 1.792 -6.767 632 HG SER 33 HG SER 33 -10.468 1.119 -8.465 633 H ILE 34 H ILE 34 -9.684 3.488 -5.112 634 HA ILE 34 HA ILE 34 -11.566 4.410 -3.206 635 HB ILE 34 HB ILE 34 -8.564 4.751 -3.088 636 HG12 ILE 34 HG12 ILE 34 -9.194 2.390 -3.462 637 HG13 ILE 34 HG13 ILE 34 -8.506 2.638 -1.861 638 HG21 ILE 34 HG21 ILE 34 -8.897 4.827 -0.666 639 HG22 ILE 34 HG22 ILE 34 -10.639 4.672 -0.895 640 HG23 ILE 34 HG23 ILE 34 -9.800 6.111 -1.473 641 HD11 ILE 34 HD11 ILE 34 -11.437 2.395 -2.491 642 HD12 ILE 34 HD12 ILE 34 -10.731 2.602 -0.890 643 HD13 ILE 34 HD13 ILE 34 -10.418 1.130 -1.807 644 H HIS 35 H HIS 35 -9.198 6.025 -5.241 645 HA HIS 35 HA HIS 35 -9.608 8.633 -4.195 646 HB2 HIS 35 HB2 HIS 35 -7.600 8.006 -5.492 647 HB3 HIS 35 HB3 HIS 35 -8.595 7.818 -6.929 648 HD1 HIS 35 HD1 HIS 35 -8.836 9.839 -8.363 649 HD2 HIS 35 HD2 HIS 35 -7.613 10.790 -4.503 650 HE1 HIS 35 HE1 HIS 35 -8.374 12.310 -8.386 651 HE2 HIS 35 HE2 HIS 35 -7.545 12.844 -6.070 652 H ASP 36 H ASP 36 -11.106 6.762 -6.732 653 HA ASP 36 HA ASP 36 -12.609 8.938 -7.817 654 HB2 ASP 36 HB2 ASP 36 -12.014 7.089 -9.249 655 HB3 ASP 36 HB3 ASP 36 -12.839 5.952 -8.189 656 H ASP 37 H ASP 37 -13.111 6.626 -5.309 657 HA ASP 37 HA ASP 37 -15.524 7.955 -4.497 658 HB2 ASP 37 HB2 ASP 37 -16.182 6.154 -6.230 659 HB3 ASP 37 HB3 ASP 37 -15.784 4.992 -4.962 660 HA PRO 38 HA PRO 38 -12.966 6.377 -0.985 661 HB2 PRO 38 HB2 PRO 38 -13.434 8.589 0.537 662 HB3 PRO 38 HB3 PRO 38 -12.091 8.458 -0.592 663 HG2 PRO 38 HG2 PRO 38 -14.752 9.784 -0.965 664 HG3 PRO 38 HG3 PRO 38 -13.141 10.361 -1.435 665 HD2 PRO 38 HD2 PRO 38 -14.809 9.254 -3.229 666 HD3 PRO 38 HD3 PRO 38 -13.057 8.992 -3.305 667 H SER 39 H SER 39 -16.210 7.079 -1.595 668 HA SER 39 HA SER 39 -17.175 6.579 1.075 669 HB2 SER 39 HB2 SER 39 -18.399 7.979 -0.654 670 HB3 SER 39 HB3 SER 39 -18.762 6.477 -1.502 671 HG SER 39 HG SER 39 -19.590 7.290 1.080 672 H GLN 40 H GLN 40 -16.895 4.785 -1.982 673 HA GLN 40 HA GLN 40 -17.773 2.320 -0.803 674 HB2 GLN 40 HB2 GLN 40 -16.310 2.860 -3.387 675 HB3 GLN 40 HB3 GLN 40 -17.099 1.350 -2.945 676 HG2 GLN 40 HG2 GLN 40 -18.556 3.949 -3.094 677 HG3 GLN 40 HG3 GLN 40 -18.354 2.899 -4.481 678 HE21 GLN 40 HE21 GLN 40 -20.784 3.718 -3.100 679 HE22 GLN 40 HE22 GLN 40 -21.565 2.260 -2.591 680 H SER 41 H SER 41 -15.075 4.043 -0.283 681 HA SER 41 HA SER 41 -12.797 2.731 -0.754 682 HB2 SER 41 HB2 SER 41 -12.879 4.784 0.536 683 HB3 SER 41 HB3 SER 41 -13.596 3.932 1.901 684 HG SER 41 HG SER 41 -11.534 3.906 2.443 685 H ALA 42 H ALA 42 -14.559 2.008 2.280 686 HA ALA 42 HA ALA 42 -13.140 -0.199 3.078 687 HB1 ALA 42 HB1 ALA 42 -15.099 -0.803 4.393 688 HB2 ALA 42 HB2 ALA 42 -16.095 0.274 3.412 689 HB3 ALA 42 HB3 ALA 42 -14.819 0.939 4.438 690 H ASN 43 H ASN 43 -15.886 -0.088 0.874 691 HA ASN 43 HA ASN 43 -16.099 -2.925 0.616 692 HB2 ASN 43 HB2 ASN 43 -18.047 -1.487 0.295 693 HB3 ASN 43 HB3 ASN 43 -17.264 -0.700 -1.069 694 HD21 ASN 43 HD21 ASN 43 -18.825 -1.243 -2.529 695 HD22 ASN 43 HD22 ASN 43 -19.093 -2.861 -3.073 696 H LEU 44 H LEU 44 -14.419 -0.383 -1.090 697 HA LEU 44 HA LEU 44 -13.671 -2.010 -3.316 698 HB2 LEU 44 HB2 LEU 44 -12.815 0.643 -2.230 699 HB3 LEU 44 HB3 LEU 44 -11.819 -0.145 -3.434 700 HG LEU 44 HG LEU 44 -13.251 0.333 -5.129 701 HD11 LEU 44 HD11 LEU 44 -15.517 -0.003 -3.180 702 HD12 LEU 44 HD12 LEU 44 -15.070 -1.068 -4.515 703 HD13 LEU 44 HD13 LEU 44 -15.733 0.534 -4.845 704 HD21 LEU 44 HD21 LEU 44 -14.432 2.461 -4.789 705 HD22 LEU 44 HD22 LEU 44 -12.800 2.486 -4.121 706 HD23 LEU 44 HD23 LEU 44 -14.191 2.302 -3.050 707 H LEU 45 H LEU 45 -12.402 -1.356 -0.104 708 HA LEU 45 HA LEU 45 -9.978 -2.773 -0.447 709 HB2 LEU 45 HB2 LEU 45 -11.634 -1.824 1.862 710 HB3 LEU 45 HB3 LEU 45 -10.316 -2.925 2.139 711 HG LEU 45 HG LEU 45 -9.990 -0.354 0.698 712 HD11 LEU 45 HD11 LEU 45 -9.237 0.634 2.747 713 HD12 LEU 45 HD12 LEU 45 -9.574 -0.872 3.600 714 HD13 LEU 45 HD13 LEU 45 -10.898 0.055 2.891 715 HD21 LEU 45 HD21 LEU 45 -7.899 -1.835 2.189 716 HD22 LEU 45 HD22 LEU 45 -7.705 -0.595 0.955 717 HD23 LEU 45 HD23 LEU 45 -8.267 -2.204 0.508 718 H ALA 46 H ALA 46 -13.205 -3.632 0.701 719 HA ALA 46 HA ALA 46 -12.685 -6.347 1.257 720 HB1 ALA 46 HB1 ALA 46 -15.270 -5.027 0.412 721 HB2 ALA 46 HB2 ALA 46 -14.680 -5.192 2.066 722 HB3 ALA 46 HB3 ALA 46 -15.119 -6.627 1.141 723 H GLU 47 H GLU 47 -13.597 -4.637 -1.668 724 HA GLU 47 HA GLU 47 -14.124 -6.897 -3.277 725 HB2 GLU 47 HB2 GLU 47 -14.860 -4.577 -3.798 726 HB3 GLU 47 HB3 GLU 47 -13.189 -4.159 -4.152 727 HG2 GLU 47 HG2 GLU 47 -14.376 -4.579 -6.198 728 HG3 GLU 47 HG3 GLU 47 -13.166 -5.836 -5.939 729 H ALA 48 H ALA 48 -11.259 -4.765 -3.142 730 HA ALA 48 HA ALA 48 -9.653 -6.345 -4.808 731 HB1 ALA 48 HB1 ALA 48 -9.026 -4.072 -4.301 732 HB2 ALA 48 HB2 ALA 48 -7.730 -5.167 -3.795 733 HB3 ALA 48 HB3 ALA 48 -8.825 -4.475 -2.595 734 H LYS 49 H LYS 49 -10.374 -6.594 -1.376 735 HA LYS 49 HA LYS 49 -8.342 -8.396 -0.690 736 HB2 LYS 49 HB2 LYS 49 -10.741 -7.370 0.542 737 HB3 LYS 49 HB3 LYS 49 -10.562 -9.091 0.875 738 HG2 LYS 49 HG2 LYS 49 -8.489 -6.969 1.382 739 HG3 LYS 49 HG3 LYS 49 -9.537 -7.697 2.603 740 HD2 LYS 49 HD2 LYS 49 -8.551 -9.919 2.002 741 HD3 LYS 49 HD3 LYS 49 -7.408 -9.070 0.963 742 HE2 LYS 49 HE2 LYS 49 -6.323 -9.502 3.042 743 HE3 LYS 49 HE3 LYS 49 -6.665 -7.776 2.962 744 HZ1 LYS 49 HZ1 LYS 49 -8.601 -8.143 4.371 745 HZ2 LYS 49 HZ2 LYS 49 -7.190 -8.672 5.134 746 HZ3 LYS 49 HZ3 LYS 49 -8.253 -9.794 4.452 747 H LYS 50 H LYS 50 -11.282 -8.838 -2.460 748 HA LYS 50 HA LYS 50 -11.406 -11.669 -2.348 749 HB2 LYS 50 HB2 LYS 50 -13.257 -10.266 -3.174 750 HB3 LYS 50 HB3 LYS 50 -12.274 -9.770 -4.542 751 HG2 LYS 50 HG2 LYS 50 -12.214 -12.131 -5.292 752 HG3 LYS 50 HG3 LYS 50 -13.323 -12.534 -3.976 753 HD2 LYS 50 HD2 LYS 50 -14.943 -10.911 -4.890 754 HD3 LYS 50 HD3 LYS 50 -13.844 -10.599 -6.232 755 HE2 LYS 50 HE2 LYS 50 -14.001 -12.964 -6.883 756 HE3 LYS 50 HE3 LYS 50 -15.140 -13.237 -5.566 757 HZ1 LYS 50 HZ1 LYS 50 -15.559 -11.395 -7.855 758 HZ2 LYS 50 HZ2 LYS 50 -16.655 -11.662 -6.596 759 HZ3 LYS 50 HZ3 LYS 50 -16.275 -12.914 -7.668 760 H LEU 51 H LEU 51 -9.774 -9.369 -4.460 761 HA LEU 51 HA LEU 51 -8.516 -11.216 -6.188 762 HB2 LEU 51 HB2 LEU 51 -7.986 -8.387 -5.368 763 HB3 LEU 51 HB3 LEU 51 -6.829 -9.240 -6.370 764 HG LEU 51 HG LEU 51 -9.706 -9.048 -7.196 765 HD11 LEU 51 HD11 LEU 51 -9.048 -6.769 -6.780 766 HD12 LEU 51 HD12 LEU 51 -9.036 -7.053 -8.520 767 HD13 LEU 51 HD13 LEU 51 -7.517 -7.016 -7.620 768 HD21 LEU 51 HD21 LEU 51 -7.091 -9.341 -8.668 769 HD22 LEU 51 HD22 LEU 51 -8.686 -9.261 -9.421 770 HD23 LEU 51 HD23 LEU 51 -8.271 -10.620 -8.375 771 H ASN 52 H ASN 52 -7.278 -9.474 -3.338 772 HA ASN 52 HA ASN 52 -4.828 -10.726 -3.072 773 HB2 ASN 52 HB2 ASN 52 -5.242 -8.866 -1.692 774 HB3 ASN 52 HB3 ASN 52 -6.725 -9.550 -1.044 775 HD21 ASN 52 HD21 ASN 52 -3.251 -9.629 -0.933 776 HD22 ASN 52 HD22 ASN 52 -3.113 -10.467 0.571 777 H ASP 53 H ASP 53 -8.006 -11.848 -2.022 778 HA ASP 53 HA ASP 53 -7.010 -14.127 -0.606 779 HB2 ASP 53 HB2 ASP 53 -9.131 -13.130 0.032 780 HB3 ASP 53 HB3 ASP 53 -9.785 -13.421 -1.575 781 H ALA 54 H ALA 54 -8.176 -13.500 -3.819 782 HA ALA 54 HA ALA 54 -8.666 -16.088 -4.716 783 HB1 ALA 54 HB1 ALA 54 -8.466 -15.165 -6.939 784 HB2 ALA 54 HB2 ALA 54 -7.601 -13.766 -6.300 785 HB3 ALA 54 HB3 ALA 54 -9.295 -14.017 -5.885 786 H GLN 55 H GLN 55 -5.688 -14.164 -4.918 787 HA GLN 55 HA GLN 55 -4.256 -16.438 -6.036 788 HB2 GLN 55 HB2 GLN 55 -3.986 -14.074 -6.887 789 HB3 GLN 55 HB3 GLN 55 -3.181 -13.692 -5.371 790 HG2 GLN 55 HG2 GLN 55 -1.580 -14.109 -7.153 791 HG3 GLN 55 HG3 GLN 55 -1.437 -15.308 -5.869 792 HE21 GLN 55 HE21 GLN 55 -0.466 -16.814 -7.199 793 HE22 GLN 55 HE22 GLN 55 -1.328 -17.657 -8.441 794 H ALA 56 H ALA 56 -5.212 -15.761 -3.073 795 HA ALA 56 HA ALA 56 -2.737 -16.096 -1.621 796 HB1 ALA 56 HB1 ALA 56 -5.620 -16.011 -0.776 797 HB2 ALA 56 HB2 ALA 56 -4.408 -14.744 -0.598 798 HB3 ALA 56 HB3 ALA 56 -4.281 -16.225 0.351 Start of MODEL 5 1 H GLN 10 H GLN 10 16.446 -12.110 0.497 2 HA GLN 10 HA GLN 10 16.373 -9.763 0.971 3 HB2 GLN 10 HB2 GLN 10 14.971 -9.047 -0.931 4 HB3 GLN 10 HB3 GLN 10 16.036 -10.379 -1.326 5 HG2 GLN 10 HG2 GLN 10 14.184 -11.936 -1.062 6 HG3 GLN 10 HG3 GLN 10 13.122 -10.590 -0.661 7 HE21 GLN 10 HE21 GLN 10 11.756 -11.020 -2.396 8 HE22 GLN 10 HE22 GLN 10 12.201 -10.680 -4.031 9 H ARG 11 H ARG 11 14.714 -7.922 0.766 10 HA ARG 11 HA ARG 11 12.626 -8.443 2.762 11 HB2 ARG 11 HB2 ARG 11 12.923 -6.209 3.645 12 HB3 ARG 11 HB3 ARG 11 14.448 -7.089 3.693 13 HG2 ARG 11 HG2 ARG 11 15.231 -5.933 1.749 14 HG3 ARG 11 HG3 ARG 11 13.649 -5.172 1.556 15 HD2 ARG 11 HD2 ARG 11 15.373 -3.688 2.587 16 HD3 ARG 11 HD3 ARG 11 13.933 -3.917 3.576 17 HE ARG 11 HE ARG 11 15.547 -5.810 4.552 18 HH11 ARG 11 HH11 ARG 11 16.202 -2.462 3.793 19 HH12 ARG 11 HH12 ARG 11 17.367 -2.267 5.059 20 HH21 ARG 11 HH21 ARG 11 17.075 -5.560 6.231 21 HH22 ARG 11 HH22 ARG 11 17.867 -4.027 6.450 22 H LEU 12 H LEU 12 10.675 -7.612 2.482 23 HA LEU 12 HA LEU 12 10.081 -6.178 0.019 24 HB2 LEU 12 HB2 LEU 12 8.617 -8.553 1.179 25 HB3 LEU 12 HB3 LEU 12 7.921 -7.508 -0.040 26 HG LEU 12 HG LEU 12 8.662 -9.360 -1.232 27 HD11 LEU 12 HD11 LEU 12 9.356 -7.266 -2.238 28 HD12 LEU 12 HD12 LEU 12 10.496 -8.562 -2.603 29 HD13 LEU 12 HD13 LEU 12 10.892 -7.357 -1.375 30 HD21 LEU 12 HD21 LEU 12 10.899 -10.351 -1.000 31 HD22 LEU 12 HD22 LEU 12 9.955 -10.461 0.484 32 HD23 LEU 12 HD23 LEU 12 11.231 -9.252 0.339 33 H ALA 13 H ALA 13 7.663 -5.470 0.166 34 HA ALA 13 HA ALA 13 7.160 -4.569 2.911 35 HB1 ALA 13 HB1 ALA 13 6.374 -2.471 2.143 36 HB2 ALA 13 HB2 ALA 13 6.516 -2.969 0.456 37 HB3 ALA 13 HB3 ALA 13 7.967 -2.744 1.434 38 H ASN 14 H ASN 14 5.432 -5.389 3.669 39 HA ASN 14 HA ASN 14 3.319 -6.445 1.999 40 HB2 ASN 14 HB2 ASN 14 3.715 -6.226 4.985 41 HB3 ASN 14 HB3 ASN 14 2.270 -6.916 4.263 42 HD21 ASN 14 HD21 ASN 14 5.400 -7.402 2.815 43 HD22 ASN 14 HD22 ASN 14 5.562 -9.068 3.246 44 H PHE 15 H PHE 15 1.135 -5.601 2.074 45 HA PHE 15 HA PHE 15 1.136 -2.732 2.707 46 HB2 PHE 15 HB2 PHE 15 0.688 -3.564 0.310 47 HB3 PHE 15 HB3 PHE 15 -0.868 -4.114 0.931 48 HD1 PHE 15 HD1 PHE 15 -2.633 -2.587 1.359 49 HD2 PHE 15 HD2 PHE 15 1.239 -1.150 0.318 50 HE1 PHE 15 HE1 PHE 15 -3.563 -0.337 1.016 51 HE2 PHE 15 HE2 PHE 15 0.311 1.103 -0.027 52 HZ PHE 15 HZ PHE 15 -2.092 1.511 0.322 53 H LEU 16 H LEU 16 0.273 -2.381 4.631 54 HA LEU 16 HA LEU 16 -2.145 -3.887 5.356 55 HB2 LEU 16 HB2 LEU 16 -1.603 -3.780 7.610 56 HB3 LEU 16 HB3 LEU 16 -0.036 -4.044 6.856 57 HG LEU 16 HG LEU 16 -1.095 -1.410 7.904 58 HD11 LEU 16 HD11 LEU 16 1.189 -3.140 8.858 59 HD12 LEU 16 HD12 LEU 16 -0.388 -3.027 9.634 60 HD13 LEU 16 HD13 LEU 16 0.664 -1.612 9.566 61 HD21 LEU 16 HD21 LEU 16 0.238 -1.037 5.961 62 HD22 LEU 16 HD22 LEU 16 1.515 -2.081 6.591 63 HD23 LEU 16 HD23 LEU 16 1.139 -0.557 7.402 64 H VAL 17 H VAL 17 -3.745 -2.608 6.567 65 HA VAL 17 HA VAL 17 -3.549 0.243 6.234 66 HB VAL 17 HB VAL 17 -4.408 -0.182 4.109 67 HG11 VAL 17 HG11 VAL 17 -4.950 -2.556 4.468 68 HG12 VAL 17 HG12 VAL 17 -6.166 -1.676 3.542 69 HG13 VAL 17 HG13 VAL 17 -6.451 -2.045 5.243 70 HG21 VAL 17 HG21 VAL 17 -5.650 1.541 5.247 71 HG22 VAL 17 HG22 VAL 17 -6.739 0.328 5.914 72 HG23 VAL 17 HG23 VAL 17 -6.724 0.639 4.178 73 H HIS 18 H HIS 18 -4.375 1.227 7.892 74 HA HIS 18 HA HIS 18 -6.099 -0.068 9.790 75 HB2 HIS 18 HB2 HIS 18 -4.461 1.782 10.362 76 HB3 HIS 18 HB3 HIS 18 -5.539 2.899 9.526 77 HD1 HIS 18 HD1 HIS 18 -7.327 3.929 10.919 78 HD2 HIS 18 HD2 HIS 18 -5.780 0.486 12.651 79 HE1 HIS 18 HE1 HIS 18 -8.437 3.748 13.164 80 HE2 HIS 18 HE2 HIS 18 -7.350 1.761 14.260 81 H SER 19 H SER 19 -8.114 -0.481 9.275 82 HA SER 19 HA SER 19 -9.217 -0.274 6.892 83 HB2 SER 19 HB2 SER 19 -11.464 -0.564 8.026 84 HB3 SER 19 HB3 SER 19 -10.192 -1.695 8.487 85 HG SER 19 HG SER 19 -11.566 0.039 10.020 86 H SER 20 H SER 20 -9.639 2.383 9.239 87 HA SER 20 HA SER 20 -11.935 3.391 7.914 88 HB2 SER 20 HB2 SER 20 -10.174 4.986 9.754 89 HB3 SER 20 HB3 SER 20 -11.918 5.106 9.526 90 HG SER 20 HG SER 20 -11.925 2.840 10.350 91 H ASN 21 H ASN 21 -8.591 4.754 8.068 92 HA ASN 21 HA ASN 21 -9.192 6.082 5.518 93 HB2 ASN 21 HB2 ASN 21 -9.650 7.756 7.188 94 HB3 ASN 21 HB3 ASN 21 -8.106 7.457 7.977 95 HD21 ASN 21 HD21 ASN 21 -9.687 8.870 5.211 96 HD22 ASN 21 HD22 ASN 21 -8.347 9.833 4.694 97 H ASN 22 H ASN 22 -6.789 4.655 7.597 98 HA ASN 22 HA ASN 22 -4.643 5.918 6.052 99 HB2 ASN 22 HB2 ASN 22 -4.611 4.557 8.749 100 HB3 ASN 22 HB3 ASN 22 -3.181 5.199 7.950 101 HD21 ASN 22 HD21 ASN 22 -2.809 7.375 7.975 102 HD22 ASN 22 HD22 ASN 22 -3.780 8.498 8.859 103 H PHE 23 H PHE 23 -4.305 4.625 4.258 104 HA PHE 23 HA PHE 23 -3.655 1.838 4.664 105 HB2 PHE 23 HB2 PHE 23 -3.002 2.103 2.161 106 HB3 PHE 23 HB3 PHE 23 -4.691 2.050 2.605 107 HD1 PHE 23 HD1 PHE 23 -2.150 3.854 0.820 108 HD2 PHE 23 HD2 PHE 23 -5.878 4.326 2.859 109 HE1 PHE 23 HE1 PHE 23 -2.536 5.970 -0.356 110 HE2 PHE 23 HE2 PHE 23 -6.253 6.442 1.673 111 HZ PHE 23 HZ PHE 23 -4.584 7.266 0.064 112 H GLY 24 H GLY 24 -1.598 1.010 4.734 113 HA2 GLY 24 HA2 GLY 24 0.578 2.966 4.421 114 HA3 GLY 24 HA3 GLY 24 0.422 2.093 5.935 115 H ALA 25 H ALA 25 2.638 1.509 5.364 116 HA ALA 25 HA ALA 25 2.672 -0.954 3.824 117 HB1 ALA 25 HB1 ALA 25 4.610 1.333 3.516 118 HB2 ALA 25 HB2 ALA 25 3.573 0.621 2.271 119 HB3 ALA 25 HB3 ALA 25 4.924 -0.303 2.928 120 H ILE 26 H ILE 26 4.620 -2.249 4.340 121 HA ILE 26 HA ILE 26 5.994 -1.636 6.783 122 HB ILE 26 HB ILE 26 3.975 -2.309 7.805 123 HG12 ILE 26 HG12 ILE 26 5.640 -4.819 7.882 124 HG13 ILE 26 HG13 ILE 26 6.200 -3.322 8.628 125 HG21 ILE 26 HG21 ILE 26 4.024 -4.807 6.127 126 HG22 ILE 26 HG22 ILE 26 2.975 -3.420 5.856 127 HG23 ILE 26 HG23 ILE 26 2.807 -4.377 7.329 128 HD11 ILE 26 HD11 ILE 26 5.151 -4.661 10.291 129 HD12 ILE 26 HD12 ILE 26 3.713 -4.879 9.283 130 HD13 ILE 26 HD13 ILE 26 4.100 -3.291 9.939 131 H LEU 27 H LEU 27 7.912 -2.671 6.827 132 HA LEU 27 HA LEU 27 8.489 -4.286 4.503 133 HB2 LEU 27 HB2 LEU 27 10.247 -3.015 6.571 134 HB3 LEU 27 HB3 LEU 27 10.861 -4.104 5.350 135 HG LEU 27 HG LEU 27 9.584 -1.413 4.897 136 HD11 LEU 27 HD11 LEU 27 12.305 -2.446 4.183 137 HD12 LEU 27 HD12 LEU 27 11.951 -1.564 5.675 138 HD13 LEU 27 HD13 LEU 27 11.724 -0.773 4.108 139 HD21 LEU 27 HD21 LEU 27 9.000 -3.178 3.156 140 HD22 LEU 27 HD22 LEU 27 10.722 -3.210 2.771 141 HD23 LEU 27 HD23 LEU 27 9.794 -1.715 2.576 142 H SER 28 H SER 28 9.713 -6.167 4.588 143 HA SER 28 HA SER 28 9.638 -7.735 7.023 144 HB2 SER 28 HB2 SER 28 8.078 -8.550 4.560 145 HB3 SER 28 HB3 SER 28 8.269 -9.498 6.030 146 HG SER 28 HG SER 28 7.383 -7.073 6.699 147 H SER 29 H SER 29 11.524 -8.759 7.072 148 HA SER 29 HA SER 29 12.884 -9.327 4.540 149 HB2 SER 29 HB2 SER 29 14.033 -9.306 7.337 150 HB3 SER 29 HB3 SER 29 14.934 -9.397 5.824 151 HG SER 29 HG SER 29 14.986 -7.285 6.424 152 H THR 30 H THR 30 12.732 -10.839 7.765 153 HA THR 30 HA THR 30 12.467 -13.433 6.406 154 HB THR 30 HB THR 30 13.559 -14.343 8.560 155 HG1 THR 30 HG1 THR 30 13.544 -12.458 9.799 156 HG21 THR 30 HG21 THR 30 14.661 -14.364 6.375 157 HG22 THR 30 HG22 THR 30 15.814 -13.993 7.658 158 HG23 THR 30 HG23 THR 30 15.199 -12.703 6.624 159 H GLY 13 H GLY 13 -16.404 0.833 14.550 160 HA2 GLY 13 HA2 GLY 13 -14.300 0.328 15.581 161 HA3 GLY 13 HA3 GLY 13 -14.678 -0.844 14.325 162 H GLY 14 H GLY 14 -12.505 -1.379 14.020 163 HA2 GLY 14 HA2 GLY 14 -11.165 -0.055 11.990 164 HA3 GLY 14 HA3 GLY 14 -10.489 0.544 13.499 165 H GLU 15 H GLU 15 -10.099 -1.688 11.131 166 HA GLU 15 HA GLU 15 -8.423 -3.334 12.897 167 HB2 GLU 15 HB2 GLU 15 -8.948 -5.286 11.548 168 HB3 GLU 15 HB3 GLU 15 -10.435 -4.576 12.159 169 HG2 GLU 15 HG2 GLU 15 -10.725 -3.446 9.966 170 HG3 GLU 15 HG3 GLU 15 -9.325 -4.328 9.384 171 H ILE 16 H ILE 16 -6.418 -3.930 12.018 172 HA ILE 16 HA ILE 16 -5.623 -2.409 9.652 173 HB ILE 16 HB ILE 16 -4.007 -3.801 11.784 174 HG12 ILE 16 HG12 ILE 16 -4.235 -0.890 11.015 175 HG13 ILE 16 HG13 ILE 16 -5.130 -1.646 12.326 176 HG21 ILE 16 HG21 ILE 16 -2.005 -2.869 10.677 177 HG22 ILE 16 HG22 ILE 16 -3.014 -2.340 9.331 178 HG23 ILE 16 HG23 ILE 16 -2.826 -4.060 9.670 179 HD11 ILE 16 HD11 ILE 16 -3.057 -2.144 13.465 180 HD12 ILE 16 HD12 ILE 16 -3.213 -0.419 13.133 181 HD13 ILE 16 HD13 ILE 16 -2.145 -1.414 12.143 182 H VAL 17 H VAL 17 -6.126 -3.522 7.865 183 HA VAL 17 HA VAL 17 -5.746 -6.390 7.920 184 HB VAL 17 HB VAL 17 -6.657 -6.254 5.512 185 HG11 VAL 17 HG11 VAL 17 -8.914 -6.396 6.396 186 HG12 VAL 17 HG12 VAL 17 -8.412 -5.582 7.877 187 HG13 VAL 17 HG13 VAL 17 -7.787 -7.190 7.494 188 HG21 VAL 17 HG21 VAL 17 -6.548 -3.879 5.177 189 HG22 VAL 17 HG22 VAL 17 -7.587 -3.603 6.576 190 HG23 VAL 17 HG23 VAL 17 -8.227 -4.424 5.145 191 H TYR 18 H TYR 18 -4.034 -7.207 7.516 192 HA TYR 18 HA TYR 18 -1.863 -6.061 6.021 193 HB2 TYR 18 HB2 TYR 18 -2.199 -7.854 8.115 194 HB3 TYR 18 HB3 TYR 18 -1.740 -8.889 6.778 195 HD1 TYR 18 HD1 TYR 18 -0.597 -5.672 8.370 196 HD2 TYR 18 HD2 TYR 18 0.468 -9.373 6.559 197 HE1 TYR 18 HE1 TYR 18 1.719 -5.240 8.910 198 HE2 TYR 18 HE2 TYR 18 2.826 -8.939 7.069 199 HH TYR 18 HH TYR 18 4.290 -7.068 7.555 200 H LEU 19 H LEU 19 -2.392 -6.060 3.763 201 HA LEU 19 HA LEU 19 -3.014 -8.708 2.630 202 HB2 LEU 19 HB2 LEU 19 -3.153 -6.047 1.228 203 HB3 LEU 19 HB3 LEU 19 -3.700 -7.564 0.611 204 HG LEU 19 HG LEU 19 -5.576 -6.370 1.136 205 HD11 LEU 19 HD11 LEU 19 -4.996 -8.222 3.383 206 HD12 LEU 19 HD12 LEU 19 -5.642 -8.634 1.795 207 HD13 LEU 19 HD13 LEU 19 -6.601 -7.656 2.910 208 HD21 LEU 19 HD21 LEU 19 -4.527 -4.627 2.502 209 HD22 LEU 19 HD22 LEU 19 -4.451 -5.760 3.853 210 HD23 LEU 19 HD23 LEU 19 -6.014 -5.241 3.225 211 HA PRO 20 HA PRO 20 1.378 -8.134 1.412 212 HB2 PRO 20 HB2 PRO 20 2.271 -10.566 2.076 213 HB3 PRO 20 HB3 PRO 20 2.046 -9.296 3.283 214 HG2 PRO 20 HG2 PRO 20 0.316 -11.646 2.658 215 HG3 PRO 20 HG3 PRO 20 0.716 -10.932 4.230 216 HD2 PRO 20 HD2 PRO 20 -1.629 -10.480 2.827 217 HD3 PRO 20 HD3 PRO 20 -0.982 -9.422 4.094 218 H ASN 21 H ASN 21 -1.066 -10.424 0.466 219 HA ASN 21 HA ASN 21 0.681 -11.527 -1.616 220 HB2 ASN 21 HB2 ASN 21 -2.010 -12.468 -0.620 221 HB3 ASN 21 HB3 ASN 21 -1.121 -13.222 -1.938 222 HD21 ASN 21 HD21 ASN 21 -1.401 -12.824 1.459 223 HD22 ASN 21 HD22 ASN 21 -0.185 -13.970 1.910 224 H LEU 22 H LEU 22 -1.251 -8.941 -1.456 225 HA LEU 22 HA LEU 22 -2.905 -9.313 -3.751 226 HB2 LEU 22 HB2 LEU 22 -1.991 -6.806 -2.358 227 HB3 LEU 22 HB3 LEU 22 -3.098 -6.811 -3.713 228 HG LEU 22 HG LEU 22 -3.593 -8.020 -1.000 229 HD11 LEU 22 HD11 LEU 22 -3.729 -5.595 -1.029 230 HD12 LEU 22 HD12 LEU 22 -5.339 -6.296 -0.884 231 HD13 LEU 22 HD13 LEU 22 -4.796 -5.657 -2.433 232 HD21 LEU 22 HD21 LEU 22 -5.389 -7.950 -3.405 233 HD22 LEU 22 HD22 LEU 22 -5.832 -8.456 -1.764 234 HD23 LEU 22 HD23 LEU 22 -4.641 -9.379 -2.684 235 H ASN 23 H ASN 23 -2.723 -8.119 -5.727 236 HA ASN 23 HA ASN 23 -0.001 -8.184 -6.757 237 HB2 ASN 23 HB2 ASN 23 -2.650 -7.721 -8.143 238 HB3 ASN 23 HB3 ASN 23 -1.092 -7.805 -8.961 239 HD21 ASN 23 HD21 ASN 23 -3.516 -9.454 -9.180 240 HD22 ASN 23 HD22 ASN 23 -2.994 -11.079 -8.906 241 HA PRO 24 HA PRO 24 0.906 -3.841 -6.594 242 HB2 PRO 24 HB2 PRO 24 1.517 -4.159 -9.506 243 HB3 PRO 24 HB3 PRO 24 2.477 -3.392 -8.236 244 HG2 PRO 24 HG2 PRO 24 3.117 -5.813 -9.114 245 HG3 PRO 24 HG3 PRO 24 3.224 -5.422 -7.387 246 HD2 PRO 24 HD2 PRO 24 1.196 -7.055 -8.839 247 HD3 PRO 24 HD3 PRO 24 1.827 -7.239 -7.190 248 H ASP 25 H ASP 25 -0.585 -4.812 -9.677 249 HA ASP 25 HA ASP 25 -1.897 -2.430 -10.262 250 HB2 ASP 25 HB2 ASP 25 -1.699 -4.181 -11.921 251 HB3 ASP 25 HB3 ASP 25 -2.674 -5.271 -10.943 252 H GLN 26 H GLN 26 -2.897 -5.118 -8.218 253 HA GLN 26 HA GLN 26 -5.586 -4.218 -7.957 254 HB2 GLN 26 HB2 GLN 26 -3.972 -6.253 -6.432 255 HB3 GLN 26 HB3 GLN 26 -5.673 -5.920 -6.101 256 HG2 GLN 26 HG2 GLN 26 -4.694 -6.654 -8.829 257 HG3 GLN 26 HG3 GLN 26 -5.144 -7.876 -7.640 258 HE21 GLN 26 HE21 GLN 26 -6.849 -8.625 -8.875 259 HE22 GLN 26 HE22 GLN 26 -8.306 -7.722 -9.101 260 H LEU 27 H LEU 27 -2.665 -3.838 -5.961 261 HA LEU 27 HA LEU 27 -3.915 -2.425 -3.867 262 HB2 LEU 27 HB2 LEU 27 -1.124 -2.072 -4.984 263 HB3 LEU 27 HB3 LEU 27 -1.700 -1.380 -3.484 264 HG LEU 27 HG LEU 27 -1.584 -4.343 -4.001 265 HD11 LEU 27 HD11 LEU 27 0.643 -3.276 -4.074 266 HD12 LEU 27 HD12 LEU 27 0.439 -4.378 -2.713 267 HD13 LEU 27 HD13 LEU 27 0.354 -2.633 -2.458 268 HD21 LEU 27 HD21 LEU 27 -1.936 -2.691 -1.513 269 HD22 LEU 27 HD22 LEU 27 -1.786 -4.448 -1.558 270 HD23 LEU 27 HD23 LEU 27 -3.177 -3.662 -2.304 271 H CYS 28 H CYS 28 -2.410 -1.339 -6.867 272 HA CYS 28 HA CYS 28 -2.972 1.392 -6.653 273 HB2 CYS 28 HB2 CYS 28 -1.430 0.357 -8.305 274 HB3 CYS 28 HB3 CYS 28 -2.818 -0.303 -9.157 275 H ALA 29 H ALA 29 -4.923 -1.323 -7.639 276 HA ALA 29 HA ALA 29 -7.069 0.178 -8.767 277 HB1 ALA 29 HB1 ALA 29 -8.258 -1.941 -8.813 278 HB2 ALA 29 HB2 ALA 29 -7.041 -2.670 -7.764 279 HB3 ALA 29 HB3 ALA 29 -6.605 -2.156 -9.391 280 H PHE 30 H PHE 30 -6.596 -1.474 -5.637 281 HA PHE 30 HA PHE 30 -9.124 -0.769 -4.595 282 HB2 PHE 30 HB2 PHE 30 -6.554 -1.612 -3.279 283 HB3 PHE 30 HB3 PHE 30 -7.988 -1.205 -2.340 284 HD1 PHE 30 HD1 PHE 30 -6.232 -3.870 -3.376 285 HD2 PHE 30 HD2 PHE 30 -10.186 -2.335 -3.645 286 HE1 PHE 30 HE1 PHE 30 -7.094 -6.153 -3.700 287 HE2 PHE 30 HE2 PHE 30 -11.058 -4.610 -3.971 288 HZ PHE 30 HZ PHE 30 -9.515 -6.523 -3.996 289 H ILE 31 H ILE 31 -5.925 0.691 -4.133 290 HA ILE 31 HA ILE 31 -6.680 2.825 -2.512 291 HB ILE 31 HB ILE 31 -4.531 2.721 -4.630 292 HG12 ILE 31 HG12 ILE 31 -4.267 2.460 -1.631 293 HG13 ILE 31 HG13 ILE 31 -4.464 1.074 -2.698 294 HG21 ILE 31 HG21 ILE 31 -5.059 5.037 -4.131 295 HG22 ILE 31 HG22 ILE 31 -3.500 4.607 -3.428 296 HG23 ILE 31 HG23 ILE 31 -4.928 4.716 -2.401 297 HD11 ILE 31 HD11 ILE 31 -2.115 1.600 -2.015 298 HD12 ILE 31 HD12 ILE 31 -2.238 3.068 -2.992 299 HD13 ILE 31 HD13 ILE 31 -2.389 1.478 -3.753 300 H HIS 32 H HIS 32 -6.875 2.405 -5.943 301 HA HIS 32 HA HIS 32 -7.703 4.983 -6.681 302 HB2 HIS 32 HB2 HIS 32 -6.883 3.188 -8.243 303 HB3 HIS 32 HB3 HIS 32 -8.433 2.386 -8.040 304 HD1 HIS 32 HD1 HIS 32 -6.766 5.141 -9.850 305 HD2 HIS 32 HD2 HIS 32 -10.631 3.746 -9.245 306 HE1 HIS 32 HE1 HIS 32 -8.173 6.258 -11.610 307 HE2 HIS 32 HE2 HIS 32 -10.458 5.227 -11.352 308 H SER 33 H SER 33 -9.552 2.027 -6.000 309 HA SER 33 HA SER 33 -12.062 3.297 -6.348 310 HB2 SER 33 HB2 SER 33 -12.869 1.140 -5.151 311 HB3 SER 33 HB3 SER 33 -12.110 1.004 -6.737 312 HG SER 33 HG SER 33 -10.669 0.749 -4.308 313 H ILE 34 H ILE 34 -9.905 3.134 -3.622 314 HA ILE 34 HA ILE 34 -11.849 3.655 -1.612 315 HB ILE 34 HB ILE 34 -8.927 4.443 -1.651 316 HG12 ILE 34 HG12 ILE 34 -9.332 1.995 -1.756 317 HG13 ILE 34 HG13 ILE 34 -8.615 2.466 -0.219 318 HG21 ILE 34 HG21 ILE 34 -9.181 4.711 0.781 319 HG22 ILE 34 HG22 ILE 34 -10.907 4.377 0.638 320 HG23 ILE 34 HG23 ILE 34 -10.226 5.821 -0.108 321 HD11 ILE 34 HD11 ILE 34 -10.810 2.338 0.845 322 HD12 ILE 34 HD12 ILE 34 -10.370 0.808 0.088 323 HD13 ILE 34 HD13 ILE 34 -11.535 1.878 -0.695 324 H HIS 35 H HIS 35 -9.605 5.821 -3.323 325 HA HIS 35 HA HIS 35 -10.523 8.113 -2.006 326 HB2 HIS 35 HB2 HIS 35 -9.370 9.357 -3.747 327 HB3 HIS 35 HB3 HIS 35 -8.361 8.111 -3.017 328 HD1 HIS 35 HD1 HIS 35 -7.113 6.728 -4.630 329 HD2 HIS 35 HD2 HIS 35 -10.216 8.820 -6.432 330 HE1 HIS 35 HE1 HIS 35 -6.724 6.525 -7.110 331 HE2 HIS 35 HE2 HIS 35 -8.531 7.914 -8.171 332 H ASP 36 H ASP 36 -11.320 6.703 -5.019 333 HA ASP 36 HA ASP 36 -13.139 8.828 -5.720 334 HB2 ASP 36 HB2 ASP 36 -11.592 7.903 -7.331 335 HB3 ASP 36 HB3 ASP 36 -12.314 6.308 -7.146 336 H ASP 37 H ASP 37 -13.378 5.984 -3.939 337 HA ASP 37 HA ASP 37 -16.263 6.298 -3.920 338 HB2 ASP 37 HB2 ASP 37 -15.574 4.463 -5.640 339 HB3 ASP 37 HB3 ASP 37 -15.220 3.481 -4.212 340 HA PRO 38 HA PRO 38 -13.965 5.352 0.039 341 HB2 PRO 38 HB2 PRO 38 -14.418 7.604 1.404 342 HB3 PRO 38 HB3 PRO 38 -13.170 7.515 0.160 343 HG2 PRO 38 HG2 PRO 38 -15.942 8.639 -0.030 344 HG3 PRO 38 HG3 PRO 38 -14.416 9.319 -0.628 345 HD2 PRO 38 HD2 PRO 38 -16.176 7.956 -2.212 346 HD3 PRO 38 HD3 PRO 38 -14.430 8.014 -2.517 347 H SER 39 H SER 39 -17.203 6.108 -0.724 348 HA SER 39 HA SER 39 -18.312 5.568 1.860 349 HB2 SER 39 HB2 SER 39 -19.540 6.854 0.132 350 HB3 SER 39 HB3 SER 39 -19.611 5.408 -0.873 351 HG SER 39 HG SER 39 -20.801 5.792 1.676 352 H GLN 40 H GLN 40 -17.668 3.730 -1.084 353 HA GLN 40 HA GLN 40 -18.650 1.270 -0.016 354 HB2 GLN 40 HB2 GLN 40 -16.977 1.827 -2.452 355 HB3 GLN 40 HB3 GLN 40 -17.781 0.305 -2.074 356 HG2 GLN 40 HG2 GLN 40 -19.400 2.768 -2.123 357 HG3 GLN 40 HG3 GLN 40 -18.862 2.095 -3.644 358 HE21 GLN 40 HE21 GLN 40 -21.550 2.337 -2.577 359 HE22 GLN 40 HE22 GLN 40 -22.195 0.735 -2.512 360 H SER 41 H SER 41 -15.877 2.996 0.590 361 HA SER 41 HA SER 41 -13.680 1.478 0.493 362 HB2 SER 41 HB2 SER 41 -13.769 3.690 1.546 363 HB3 SER 41 HB3 SER 41 -14.602 3.001 2.938 364 HG SER 41 HG SER 41 -12.285 3.294 3.172 365 H ALA 42 H ALA 42 -16.245 1.034 2.906 366 HA ALA 42 HA ALA 42 -15.188 -0.969 4.492 367 HB1 ALA 42 HB1 ALA 42 -17.488 -1.594 4.959 368 HB2 ALA 42 HB2 ALA 42 -18.025 -0.730 3.518 369 HB3 ALA 42 HB3 ALA 42 -17.337 0.162 4.877 370 H ASN 43 H ASN 43 -16.711 -1.198 1.361 371 HA ASN 43 HA ASN 43 -16.561 -4.085 1.246 372 HB2 ASN 43 HB2 ASN 43 -18.447 -2.918 0.207 373 HB3 ASN 43 HB3 ASN 43 -17.344 -2.035 -0.840 374 HD21 ASN 43 HD21 ASN 43 -16.427 -3.080 -2.605 375 HD22 ASN 43 HD22 ASN 43 -16.987 -4.616 -3.165 376 H LEU 44 H LEU 44 -14.869 -1.293 -0.121 377 HA LEU 44 HA LEU 44 -13.359 -2.685 -2.024 378 HB2 LEU 44 HB2 LEU 44 -12.975 -0.060 -0.650 379 HB3 LEU 44 HB3 LEU 44 -11.676 -0.715 -1.624 380 HG LEU 44 HG LEU 44 -12.710 0.614 -3.179 381 HD11 LEU 44 HD11 LEU 44 -13.955 -0.723 -4.711 382 HD12 LEU 44 HD12 LEU 44 -14.417 -1.849 -3.436 383 HD13 LEU 44 HD13 LEU 44 -12.732 -1.746 -3.952 384 HD21 LEU 44 HD21 LEU 44 -15.114 1.003 -3.336 385 HD22 LEU 44 HD22 LEU 44 -14.462 1.448 -1.759 386 HD23 LEU 44 HD23 LEU 44 -15.368 -0.053 -1.946 387 H LEU 45 H LEU 45 -12.663 -2.079 1.430 388 HA LEU 45 HA LEU 45 -10.079 -3.362 1.093 389 HB2 LEU 45 HB2 LEU 45 -9.513 -2.671 3.185 390 HB3 LEU 45 HB3 LEU 45 -10.734 -1.474 2.810 391 HG LEU 45 HG LEU 45 -11.465 -3.963 4.305 392 HD11 LEU 45 HD11 LEU 45 -11.073 -2.769 6.397 393 HD12 LEU 45 HD12 LEU 45 -10.383 -1.417 5.498 394 HD13 LEU 45 HD13 LEU 45 -9.571 -2.983 5.496 395 HD21 LEU 45 HD21 LEU 45 -12.572 -1.168 4.261 396 HD22 LEU 45 HD22 LEU 45 -13.186 -2.499 5.239 397 HD23 LEU 45 HD23 LEU 45 -13.277 -2.582 3.480 398 H ALA 46 H ALA 46 -13.288 -4.241 1.832 399 HA ALA 46 HA ALA 46 -12.901 -6.675 3.198 400 HB1 ALA 46 HB1 ALA 46 -15.070 -5.988 1.209 401 HB2 ALA 46 HB2 ALA 46 -15.092 -5.534 2.918 402 HB3 ALA 46 HB3 ALA 46 -15.138 -7.236 2.458 403 H GLU 47 H GLU 47 -13.074 -5.822 -0.188 404 HA GLU 47 HA GLU 47 -12.825 -8.377 -1.314 405 HB2 GLU 47 HB2 GLU 47 -11.940 -5.693 -2.385 406 HB3 GLU 47 HB3 GLU 47 -12.150 -7.162 -3.343 407 HG2 GLU 47 HG2 GLU 47 -14.504 -7.222 -2.677 408 HG3 GLU 47 HG3 GLU 47 -14.273 -5.699 -1.814 409 H ALA 48 H ALA 48 -10.440 -5.911 -0.552 410 HA ALA 48 HA ALA 48 -8.140 -7.165 -1.455 411 HB1 ALA 48 HB1 ALA 48 -8.276 -4.863 -0.534 412 HB2 ALA 48 HB2 ALA 48 -6.900 -5.796 0.076 413 HB3 ALA 48 HB3 ALA 48 -8.330 -5.560 1.086 414 H LYS 49 H LYS 49 -9.815 -7.570 1.626 415 HA LYS 49 HA LYS 49 -7.998 -9.350 2.822 416 HB2 LYS 49 HB2 LYS 49 -10.983 -9.102 3.224 417 HB3 LYS 49 HB3 LYS 49 -9.892 -9.961 4.294 418 HG2 LYS 49 HG2 LYS 49 -8.801 -7.924 4.896 419 HG3 LYS 49 HG3 LYS 49 -9.717 -7.009 3.704 420 HD2 LYS 49 HD2 LYS 49 -10.713 -6.629 5.851 421 HD3 LYS 49 HD3 LYS 49 -11.799 -7.665 4.928 422 HE2 LYS 49 HE2 LYS 49 -11.049 -9.611 6.115 423 HE3 LYS 49 HE3 LYS 49 -9.794 -8.681 6.932 424 HZ1 LYS 49 HZ1 LYS 49 -11.816 -9.135 8.281 425 HZ2 LYS 49 HZ2 LYS 49 -12.689 -8.130 7.241 426 HZ3 LYS 49 HZ3 LYS 49 -11.413 -7.495 8.161 427 H LYS 50 H LYS 50 -10.789 -9.902 0.720 428 HA LYS 50 HA LYS 50 -10.665 -12.755 0.908 429 HB2 LYS 50 HB2 LYS 50 -12.746 -11.554 0.344 430 HB3 LYS 50 HB3 LYS 50 -12.017 -11.000 -1.155 431 HG2 LYS 50 HG2 LYS 50 -11.828 -13.328 -1.909 432 HG3 LYS 50 HG3 LYS 50 -12.599 -13.861 -0.415 433 HD2 LYS 50 HD2 LYS 50 -13.860 -11.991 -2.418 434 HD3 LYS 50 HD3 LYS 50 -14.152 -13.728 -2.354 435 HE2 LYS 50 HE2 LYS 50 -14.711 -11.790 -0.111 436 HE3 LYS 50 HE3 LYS 50 -15.916 -12.414 -1.235 437 HZ1 LYS 50 HZ1 LYS 50 -15.948 -13.648 0.822 438 HZ2 LYS 50 HZ2 LYS 50 -14.310 -14.029 0.669 439 HZ3 LYS 50 HZ3 LYS 50 -15.427 -14.653 -0.434 440 H LEU 51 H LEU 51 -9.497 -10.324 -1.350 441 HA LEU 51 HA LEU 51 -8.580 -12.002 -3.384 442 HB2 LEU 51 HB2 LEU 51 -8.281 -9.227 -2.565 443 HB3 LEU 51 HB3 LEU 51 -6.847 -9.854 -3.333 444 HG LEU 51 HG LEU 51 -8.359 -10.578 -5.237 445 HD11 LEU 51 HD11 LEU 51 -10.464 -9.341 -5.473 446 HD12 LEU 51 HD12 LEU 51 -10.261 -8.691 -3.845 447 HD13 LEU 51 HD13 LEU 51 -10.493 -10.423 -4.081 448 HD21 LEU 51 HD21 LEU 51 -8.120 -7.630 -4.705 449 HD22 LEU 51 HD22 LEU 51 -8.247 -8.413 -6.279 450 HD23 LEU 51 HD23 LEU 51 -6.811 -8.656 -5.281 451 H ASN 52 H ASN 52 -6.771 -10.501 -0.696 452 HA ASN 52 HA ASN 52 -4.324 -11.690 -1.068 453 HB2 ASN 52 HB2 ASN 52 -4.656 -9.995 0.618 454 HB3 ASN 52 HB3 ASN 52 -5.732 -11.053 1.528 455 HD21 ASN 52 HD21 ASN 52 -4.872 -12.570 2.884 456 HD22 ASN 52 HD22 ASN 52 -3.176 -12.738 3.175 457 H ASP 53 H ASP 53 -7.131 -13.038 0.622 458 HA ASP 53 HA ASP 53 -5.862 -15.382 1.547 459 HB2 ASP 53 HB2 ASP 53 -7.992 -14.588 2.465 460 HB3 ASP 53 HB3 ASP 53 -8.783 -14.903 0.925 461 H ALA 54 H ALA 54 -7.480 -14.573 -1.454 462 HA ALA 54 HA ALA 54 -7.512 -17.257 -2.464 463 HB1 ALA 54 HB1 ALA 54 -8.276 -16.245 -4.543 464 HB2 ALA 54 HB2 ALA 54 -7.883 -14.642 -3.924 465 HB3 ALA 54 HB3 ALA 54 -9.165 -15.589 -3.170 466 H GLN 55 H GLN 55 -5.124 -14.899 -2.137 467 HA GLN 55 HA GLN 55 -3.485 -16.205 -4.205 468 HB2 GLN 55 HB2 GLN 55 -3.291 -13.397 -3.110 469 HB3 GLN 55 HB3 GLN 55 -2.118 -14.117 -4.201 470 HG2 GLN 55 HG2 GLN 55 -3.976 -14.433 -5.847 471 HG3 GLN 55 HG3 GLN 55 -5.000 -13.486 -4.768 472 HE21 GLN 55 HE21 GLN 55 -2.294 -13.437 -6.933 473 HE22 GLN 55 HE22 GLN 55 -2.184 -11.717 -7.090 474 H ALA 56 H ALA 56 -4.023 -16.625 -1.182 475 HA ALA 56 HA ALA 56 -1.312 -16.434 -0.147 476 HB1 ALA 56 HB1 ALA 56 -3.999 -17.060 1.003 477 HB2 ALA 56 HB2 ALA 56 -2.900 -15.742 1.419 478 HB3 ALA 56 HB3 ALA 56 -2.525 -17.395 1.912 479 H GLY 13 H GLY 13 14.699 -3.314 9.615 480 HA2 GLY 13 HA2 GLY 13 13.293 -3.508 7.012 481 HA3 GLY 13 HA3 GLY 13 14.508 -4.643 7.588 482 H GLY 14 H GLY 14 11.301 -3.324 8.182 483 HA2 GLY 14 HA2 GLY 14 9.660 -5.207 8.746 484 HA3 GLY 14 HA3 GLY 14 10.775 -5.542 10.072 485 H GLU 15 H GLU 15 10.486 -2.297 9.197 486 HA GLU 15 HA GLU 15 8.847 -1.699 11.519 487 HB2 GLU 15 HB2 GLU 15 9.480 0.657 11.010 488 HB3 GLU 15 HB3 GLU 15 10.842 -0.392 11.301 489 HG2 GLU 15 HG2 GLU 15 9.898 0.332 8.569 490 HG3 GLU 15 HG3 GLU 15 11.105 1.261 9.441 491 H ILE 16 H ILE 16 7.207 0.056 11.209 492 HA ILE 16 HA ILE 16 5.578 -0.670 8.883 493 HB ILE 16 HB ILE 16 4.649 1.007 11.208 494 HG12 ILE 16 HG12 ILE 16 4.853 -1.986 10.960 495 HG13 ILE 16 HG13 ILE 16 5.333 -0.965 12.305 496 HG21 ILE 16 HG21 ILE 16 3.295 1.031 9.168 497 HG22 ILE 16 HG22 ILE 16 2.444 0.248 10.499 498 HG23 ILE 16 HG23 ILE 16 3.178 -0.727 9.226 499 HD11 ILE 16 HD11 ILE 16 2.509 -1.590 11.467 500 HD12 ILE 16 HD12 ILE 16 2.974 -0.524 12.797 501 HD13 ILE 16 HD13 ILE 16 3.363 -2.243 12.868 502 H VAL 17 H VAL 17 5.086 0.744 7.292 503 HA VAL 17 HA VAL 17 6.187 3.475 7.589 504 HB VAL 17 HB VAL 17 6.323 1.746 5.104 505 HG11 VAL 17 HG11 VAL 17 6.401 4.059 4.530 506 HG12 VAL 17 HG12 VAL 17 8.021 3.389 4.369 507 HG13 VAL 17 HG13 VAL 17 7.609 4.379 5.769 508 HG21 VAL 17 HG21 VAL 17 7.703 0.728 6.753 509 HG22 VAL 17 HG22 VAL 17 8.448 2.277 7.152 510 HG23 VAL 17 HG23 VAL 17 8.724 1.545 5.572 511 H TYR 18 H TYR 18 4.107 4.319 7.992 512 HA TYR 18 HA TYR 18 1.900 3.601 6.256 513 HB2 TYR 18 HB2 TYR 18 2.201 4.831 8.885 514 HB3 TYR 18 HB3 TYR 18 0.988 5.632 7.892 515 HD1 TYR 18 HD1 TYR 18 1.920 2.479 9.532 516 HD2 TYR 18 HD2 TYR 18 -1.062 4.530 7.304 517 HE1 TYR 18 HE1 TYR 18 0.303 0.709 10.077 518 HE2 TYR 18 HE2 TYR 18 -2.688 2.769 7.849 519 HH TYR 18 HH TYR 18 -2.192 0.499 10.257 520 H LEU 19 H LEU 19 1.618 4.554 4.385 521 HA LEU 19 HA LEU 19 2.187 7.427 4.147 522 HB2 LEU 19 HB2 LEU 19 2.930 5.187 2.282 523 HB3 LEU 19 HB3 LEU 19 2.742 6.820 1.687 524 HG LEU 19 HG LEU 19 4.512 7.564 3.253 525 HD11 LEU 19 HD11 LEU 19 4.802 4.621 3.784 526 HD12 LEU 19 HD12 LEU 19 4.311 5.856 4.946 527 HD13 LEU 19 HD13 LEU 19 5.942 5.875 4.279 528 HD21 LEU 19 HD21 LEU 19 5.114 7.099 1.005 529 HD22 LEU 19 HD22 LEU 19 5.171 5.361 1.326 530 HD23 LEU 19 HD23 LEU 19 6.368 6.437 2.061 531 HA PRO 20 HA PRO 20 -2.070 6.639 2.564 532 HB2 PRO 20 HB2 PRO 20 -3.506 7.881 4.440 533 HB3 PRO 20 HB3 PRO 20 -2.871 6.253 4.703 534 HG2 PRO 20 HG2 PRO 20 -1.932 8.848 5.800 535 HG3 PRO 20 HG3 PRO 20 -1.889 7.236 6.528 536 HD2 PRO 20 HD2 PRO 20 0.237 8.570 5.222 537 HD3 PRO 20 HD3 PRO 20 0.206 6.877 5.754 538 H ASN 21 H ASN 21 -0.033 9.215 2.979 539 HA ASN 21 HA ASN 21 -1.936 11.216 1.991 540 HB2 ASN 21 HB2 ASN 21 0.919 11.516 2.950 541 HB3 ASN 21 HB3 ASN 21 -0.099 12.840 2.397 542 HD21 ASN 21 HD21 ASN 21 -1.806 13.531 3.691 543 HD22 ASN 21 HD22 ASN 21 -1.926 13.098 5.360 544 H LEU 22 H LEU 22 0.216 8.962 0.840 545 HA LEU 22 HA LEU 22 1.359 10.251 -1.360 546 HB2 LEU 22 HB2 LEU 22 0.628 7.405 -0.811 547 HB3 LEU 22 HB3 LEU 22 1.272 7.886 -2.368 548 HG LEU 22 HG LEU 22 2.668 8.155 0.294 549 HD11 LEU 22 HD11 LEU 22 3.312 6.426 -2.090 550 HD12 LEU 22 HD12 LEU 22 2.484 5.858 -0.642 551 HD13 LEU 22 HD13 LEU 22 4.138 6.448 -0.535 552 HD21 LEU 22 HD21 LEU 22 4.597 8.854 -1.057 553 HD22 LEU 22 HD22 LEU 22 3.259 9.999 -1.128 554 HD23 LEU 22 HD23 LEU 22 3.560 8.910 -2.485 555 H ASN 23 H ASN 23 0.669 10.766 -3.313 556 HA ASN 23 HA ASN 23 -2.131 10.539 -3.922 557 HB2 ASN 23 HB2 ASN 23 -1.498 11.734 -6.028 558 HB3 ASN 23 HB3 ASN 23 -1.052 12.589 -4.560 559 HD21 ASN 23 HD21 ASN 23 -0.010 12.846 -7.256 560 HD22 ASN 23 HD22 ASN 23 1.692 12.565 -7.137 561 HA PRO 24 HA PRO 24 -2.297 6.503 -5.519 562 HB2 PRO 24 HB2 PRO 24 -3.825 7.877 -7.707 563 HB3 PRO 24 HB3 PRO 24 -4.205 6.384 -6.841 564 HG2 PRO 24 HG2 PRO 24 -5.419 8.621 -6.154 565 HG3 PRO 24 HG3 PRO 24 -4.828 7.516 -4.900 566 HD2 PRO 24 HD2 PRO 24 -3.725 10.134 -5.787 567 HD3 PRO 24 HD3 PRO 24 -3.706 9.381 -4.180 568 H ASP 25 H ASP 25 -1.843 8.933 -8.079 569 HA ASP 25 HA ASP 25 -0.841 7.258 -10.052 570 HB2 ASP 25 HB2 ASP 25 -1.551 9.586 -10.434 571 HB3 ASP 25 HB3 ASP 25 -0.134 10.158 -9.561 572 H GLN 26 H GLN 26 0.842 8.819 -7.379 573 HA GLN 26 HA GLN 26 3.439 8.053 -8.385 574 HB2 GLN 26 HB2 GLN 26 2.549 9.402 -5.846 575 HB3 GLN 26 HB3 GLN 26 4.226 8.957 -6.151 576 HG2 GLN 26 HG2 GLN 26 2.569 10.802 -7.855 577 HG3 GLN 26 HG3 GLN 26 3.775 11.301 -6.673 578 HE21 GLN 26 HE21 GLN 26 5.955 10.994 -7.125 579 HE22 GLN 26 HE22 GLN 26 6.530 10.653 -8.718 580 H LEU 27 H LEU 27 1.408 7.116 -5.576 581 HA LEU 27 HA LEU 27 3.268 5.204 -4.646 582 HB2 LEU 27 HB2 LEU 27 1.397 4.257 -3.310 583 HB3 LEU 27 HB3 LEU 27 1.657 5.969 -3.087 584 HG LEU 27 HG LEU 27 -0.300 6.339 -4.671 585 HD11 LEU 27 HD11 LEU 27 -1.917 4.479 -4.798 586 HD12 LEU 27 HD12 LEU 27 -0.683 3.403 -4.142 587 HD13 LEU 27 HD13 LEU 27 -0.435 4.179 -5.704 588 HD21 LEU 27 HD21 LEU 27 -1.949 5.971 -2.896 589 HD22 LEU 27 HD22 LEU 27 -0.463 6.682 -2.267 590 HD23 LEU 27 HD23 LEU 27 -0.794 4.960 -2.020 591 H CYS 28 H CYS 28 0.945 5.120 -7.165 592 HA CYS 28 HA CYS 28 0.648 2.351 -7.522 593 HB2 CYS 28 HB2 CYS 28 -0.642 4.216 -8.657 594 HB3 CYS 28 HB3 CYS 28 0.749 4.439 -9.708 595 H ALA 29 H ALA 29 3.160 4.608 -8.444 596 HA ALA 29 HA ALA 29 4.567 2.738 -10.116 597 HB1 ALA 29 HB1 ALA 29 4.654 5.150 -10.549 598 HB2 ALA 29 HB2 ALA 29 6.261 4.476 -10.286 599 HB3 ALA 29 HB3 ALA 29 5.471 5.393 -9.006 600 H PHE 30 H PHE 30 4.872 3.972 -6.816 601 HA PHE 30 HA PHE 30 7.377 2.798 -6.272 602 HB2 PHE 30 HB2 PHE 30 5.158 3.764 -4.487 603 HB3 PHE 30 HB3 PHE 30 6.632 3.052 -3.836 604 HD1 PHE 30 HD1 PHE 30 8.813 4.138 -4.264 605 HD2 PHE 30 HD2 PHE 30 5.129 5.981 -5.318 606 HE1 PHE 30 HE1 PHE 30 9.955 6.308 -4.450 607 HE2 PHE 30 HE2 PHE 30 6.263 8.154 -5.503 608 HZ PHE 30 HZ PHE 30 8.678 8.321 -5.070 609 H ILE 31 H ILE 31 4.073 1.599 -5.829 610 HA ILE 31 HA ILE 31 4.764 -0.810 -4.546 611 HB ILE 31 HB ILE 31 2.430 -0.190 -6.363 612 HG12 ILE 31 HG12 ILE 31 2.671 -0.340 -3.345 613 HG13 ILE 31 HG13 ILE 31 2.517 1.142 -4.299 614 HG21 ILE 31 HG21 ILE 31 1.373 -2.191 -5.496 615 HG22 ILE 31 HG22 ILE 31 2.804 -2.557 -4.535 616 HG23 ILE 31 HG23 ILE 31 2.889 -2.602 -6.296 617 HD11 ILE 31 HD11 ILE 31 0.296 0.348 -5.058 618 HD12 ILE 31 HD12 ILE 31 0.402 0.610 -3.318 619 HD13 ILE 31 HD13 ILE 31 0.452 -1.032 -3.965 620 H HIS 32 H HIS 32 4.298 -0.052 -7.987 621 HA HIS 32 HA HIS 32 5.020 -2.559 -9.024 622 HB2 HIS 32 HB2 HIS 32 3.951 -0.780 -10.363 623 HB3 HIS 32 HB3 HIS 32 5.420 0.180 -10.260 624 HD1 HIS 32 HD1 HIS 32 4.005 -2.880 -11.919 625 HD2 HIS 32 HD2 HIS 32 7.428 -0.526 -12.051 626 HE1 HIS 32 HE1 HIS 32 5.263 -3.630 -13.957 627 HE2 HIS 32 HE2 HIS 32 7.230 -2.070 -14.117 628 H SER 33 H SER 33 6.926 0.171 -7.964 629 HA SER 33 HA SER 33 9.408 -0.604 -9.027 630 HB2 SER 33 HB2 SER 33 8.763 1.669 -8.108 631 HB3 SER 33 HB3 SER 33 8.982 0.991 -6.497 632 HG SER 33 HG SER 33 11.166 0.369 -7.410 633 H ILE 34 H ILE 34 7.795 -1.398 -5.968 634 HA ILE 34 HA ILE 34 10.010 -2.781 -4.830 635 HB ILE 34 HB ILE 34 7.076 -3.272 -4.288 636 HG12 ILE 34 HG12 ILE 34 7.624 -0.903 -3.948 637 HG13 ILE 34 HG13 ILE 34 7.319 -1.702 -2.410 638 HG21 ILE 34 HG21 ILE 34 7.855 -4.127 -2.131 639 HG22 ILE 34 HG22 ILE 34 9.526 -3.847 -2.623 640 HG23 ILE 34 HG23 ILE 34 8.545 -5.038 -3.476 641 HD11 ILE 34 HD11 ILE 34 9.693 -1.822 -1.974 642 HD12 ILE 34 HD12 ILE 34 9.212 -0.158 -2.303 643 HD13 ILE 34 HD13 ILE 34 10.038 -1.100 -3.543 644 H HIS 35 H HIS 35 7.315 -3.700 -6.861 645 HA HIS 35 HA HIS 35 7.650 -6.473 -6.883 646 HB2 HIS 35 HB2 HIS 35 5.659 -5.493 -7.812 647 HB3 HIS 35 HB3 HIS 35 6.591 -4.586 -8.995 648 HD1 HIS 35 HD1 HIS 35 7.237 -5.765 -11.156 649 HD2 HIS 35 HD2 HIS 35 5.389 -8.271 -8.389 650 HE1 HIS 35 HE1 HIS 35 6.716 -7.891 -12.396 651 HE2 HIS 35 HE2 HIS 35 5.836 -9.463 -10.637 652 H ASP 36 H ASP 36 9.073 -3.984 -8.969 653 HA ASP 36 HA ASP 36 10.481 -5.997 -10.497 654 HB2 ASP 36 HB2 ASP 36 10.077 -3.053 -10.779 655 HB3 ASP 36 HB3 ASP 36 11.397 -3.829 -11.648 656 H ASP 37 H ASP 37 11.183 -3.809 -7.932 657 HA ASP 37 HA ASP 37 13.900 -4.875 -7.884 658 HB2 ASP 37 HB2 ASP 37 13.757 -2.487 -8.909 659 HB3 ASP 37 HB3 ASP 37 13.502 -1.969 -7.241 660 HA PRO 38 HA PRO 38 11.819 -5.136 -3.744 661 HB2 PRO 38 HB2 PRO 38 12.623 -7.683 -3.290 662 HB3 PRO 38 HB3 PRO 38 11.136 -7.290 -4.152 663 HG2 PRO 38 HG2 PRO 38 13.827 -8.013 -5.272 664 HG3 PRO 38 HG3 PRO 38 12.225 -8.622 -5.738 665 HD2 PRO 38 HD2 PRO 38 13.440 -6.705 -7.162 666 HD3 PRO 38 HD3 PRO 38 11.686 -6.684 -6.900 667 H SER 39 H SER 39 14.932 -5.166 -5.034 668 HA SER 39 HA SER 39 16.336 -5.622 -2.557 669 HB2 SER 39 HB2 SER 39 17.353 -4.481 -5.171 670 HB3 SER 39 HB3 SER 39 18.337 -5.100 -3.847 671 HG SER 39 HG SER 39 17.335 -7.157 -4.209 672 H GLN 40 H GLN 40 15.461 -2.867 -4.599 673 HA GLN 40 HA GLN 40 16.520 -0.921 -2.760 674 HB2 GLN 40 HB2 GLN 40 14.668 -0.585 -5.121 675 HB3 GLN 40 HB3 GLN 40 15.526 0.705 -4.289 676 HG2 GLN 40 HG2 GLN 40 16.979 -1.572 -5.540 677 HG3 GLN 40 HG3 GLN 40 16.468 -0.187 -6.485 678 HE21 GLN 40 HE21 GLN 40 17.416 1.822 -6.102 679 HE22 GLN 40 HE22 GLN 40 18.903 1.980 -5.232 680 H SER 41 H SER 41 13.997 -2.898 -2.450 681 HA SER 41 HA SER 41 11.635 -1.653 -2.215 682 HB2 SER 41 HB2 SER 41 11.130 -3.207 -0.288 683 HB3 SER 41 HB3 SER 41 11.776 -3.976 -1.738 684 HG SER 41 HG SER 41 13.203 -4.772 -0.428 685 H ALA 42 H ALA 42 13.553 -2.013 0.775 686 HA ALA 42 HA ALA 42 12.264 -0.230 2.370 687 HB1 ALA 42 HB1 ALA 42 14.094 -1.725 3.048 688 HB2 ALA 42 HB2 ALA 42 14.283 -0.082 3.665 689 HB3 ALA 42 HB3 ALA 42 15.243 -0.618 2.283 690 H ASN 43 H ASN 43 14.793 0.527 0.030 691 HA ASN 43 HA ASN 43 14.974 3.275 0.736 692 HB2 ASN 43 HB2 ASN 43 16.838 2.203 -0.333 693 HB3 ASN 43 HB3 ASN 43 15.858 1.784 -1.733 694 HD21 ASN 43 HD21 ASN 43 15.413 3.336 -3.270 695 HD22 ASN 43 HD22 ASN 43 16.189 4.879 -3.302 696 H LEU 44 H LEU 44 13.073 1.503 -1.664 697 HA LEU 44 HA LEU 44 11.978 3.818 -2.916 698 HB2 LEU 44 HB2 LEU 44 11.139 0.933 -2.755 699 HB3 LEU 44 HB3 LEU 44 10.097 2.123 -3.501 700 HG LEU 44 HG LEU 44 11.234 2.049 -5.423 701 HD11 LEU 44 HD11 LEU 44 13.778 2.177 -3.821 702 HD12 LEU 44 HD12 LEU 44 12.987 3.494 -4.691 703 HD13 LEU 44 HD13 LEU 44 13.710 2.153 -5.583 704 HD21 LEU 44 HD21 LEU 44 12.698 0.080 -5.779 705 HD22 LEU 44 HD22 LEU 44 11.154 -0.305 -5.020 706 HD23 LEU 44 HD23 LEU 44 12.624 -0.238 -4.046 707 H LEU 45 H LEU 45 11.244 1.927 -0.098 708 HA LEU 45 HA LEU 45 8.767 3.145 0.575 709 HB2 LEU 45 HB2 LEU 45 10.706 1.332 1.806 710 HB3 LEU 45 HB3 LEU 45 9.765 2.276 2.935 711 HG LEU 45 HG LEU 45 7.785 1.456 1.377 712 HD11 LEU 45 HD11 LEU 45 8.155 -0.904 0.753 713 HD12 LEU 45 HD12 LEU 45 9.878 -0.652 1.039 714 HD13 LEU 45 HD13 LEU 45 9.050 0.262 -0.218 715 HD21 LEU 45 HD21 LEU 45 7.823 1.165 3.698 716 HD22 LEU 45 HD22 LEU 45 9.075 -0.067 3.584 717 HD23 LEU 45 HD23 LEU 45 7.458 -0.393 2.960 718 H ALA 46 H ALA 46 12.133 3.861 1.232 719 HA ALA 46 HA ALA 46 11.671 6.017 3.042 720 HB1 ALA 46 HB1 ALA 46 14.043 6.564 2.611 721 HB2 ALA 46 HB2 ALA 46 14.072 5.348 1.333 722 HB3 ALA 46 HB3 ALA 46 13.805 4.863 3.008 723 H GLU 47 H GLU 47 12.194 5.738 -0.428 724 HA GLU 47 HA GLU 47 12.266 8.475 -1.055 725 HB2 GLU 47 HB2 GLU 47 12.984 6.694 -2.595 726 HB3 GLU 47 HB3 GLU 47 11.319 6.149 -2.738 727 HG2 GLU 47 HG2 GLU 47 11.864 7.426 -4.670 728 HG3 GLU 47 HG3 GLU 47 10.730 8.359 -3.688 729 H ALA 48 H ALA 48 9.598 6.141 -1.159 730 HA ALA 48 HA ALA 48 7.556 7.909 -1.852 731 HB1 ALA 48 HB1 ALA 48 7.456 5.373 -0.226 732 HB2 ALA 48 HB2 ALA 48 7.181 5.545 -1.960 733 HB3 ALA 48 HB3 ALA 48 6.029 6.230 -0.808 734 H LYS 49 H LYS 49 8.843 7.039 1.345 735 HA LYS 49 HA LYS 49 7.053 8.333 2.979 736 HB2 LYS 49 HB2 LYS 49 9.647 7.215 3.214 737 HB3 LYS 49 HB3 LYS 49 9.681 8.796 3.994 738 HG2 LYS 49 HG2 LYS 49 7.709 8.132 5.314 739 HG3 LYS 49 HG3 LYS 49 7.792 6.537 4.562 740 HD2 LYS 49 HD2 LYS 49 9.905 6.089 5.558 741 HD3 LYS 49 HD3 LYS 49 10.077 7.760 6.093 742 HE2 LYS 49 HE2 LYS 49 7.952 5.853 7.062 743 HE3 LYS 49 HE3 LYS 49 9.452 6.200 7.914 744 HZ1 LYS 49 HZ1 LYS 49 7.706 7.529 8.824 745 HZ2 LYS 49 HZ2 LYS 49 7.281 8.125 7.303 746 HZ3 LYS 49 HZ3 LYS 49 8.765 8.552 7.990 747 H LYS 50 H LYS 50 9.843 9.713 1.296 748 HA LYS 50 HA LYS 50 9.737 12.329 2.245 749 HB2 LYS 50 HB2 LYS 50 10.383 11.357 -0.542 750 HB3 LYS 50 HB3 LYS 50 10.769 12.950 0.081 751 HG2 LYS 50 HG2 LYS 50 12.395 12.114 1.532 752 HG3 LYS 50 HG3 LYS 50 11.795 10.460 1.390 753 HD2 LYS 50 HD2 LYS 50 13.887 10.827 0.126 754 HD3 LYS 50 HD3 LYS 50 12.541 10.342 -0.903 755 HE2 LYS 50 HE2 LYS 50 12.180 12.754 -1.438 756 HE3 LYS 50 HE3 LYS 50 13.660 13.116 -0.553 757 HZ1 LYS 50 HZ1 LYS 50 14.874 11.694 -2.089 758 HZ2 LYS 50 HZ2 LYS 50 14.079 12.936 -2.915 759 HZ3 LYS 50 HZ3 LYS 50 13.447 11.363 -2.941 760 H LEU 51 H LEU 51 8.182 10.917 -0.595 761 HA LEU 51 HA LEU 51 6.767 13.120 -1.521 762 HB2 LEU 51 HB2 LEU 51 7.156 10.518 -2.227 763 HB3 LEU 51 HB3 LEU 51 5.477 10.491 -1.738 764 HG LEU 51 HG LEU 51 6.566 12.382 -3.811 765 HD11 LEU 51 HD11 LEU 51 5.202 9.717 -4.132 766 HD12 LEU 51 HD12 LEU 51 6.908 10.055 -4.449 767 HD13 LEU 51 HD13 LEU 51 5.656 10.816 -5.438 768 HD21 LEU 51 HD21 LEU 51 4.468 13.103 -2.788 769 HD22 LEU 51 HD22 LEU 51 3.759 11.519 -3.101 770 HD23 LEU 51 HD23 LEU 51 4.198 12.568 -4.448 771 H ASN 52 H ASN 52 5.661 10.455 0.563 772 HA ASN 52 HA ASN 52 3.078 11.311 1.075 773 HB2 ASN 52 HB2 ASN 52 3.872 9.113 1.741 774 HB3 ASN 52 HB3 ASN 52 4.992 9.833 2.892 775 HD21 ASN 52 HD21 ASN 52 4.227 10.581 4.854 776 HD22 ASN 52 HD22 ASN 52 2.617 10.272 5.407 777 H ASP 53 H ASP 53 6.059 12.102 2.828 778 HA ASP 53 HA ASP 53 4.719 13.606 4.845 779 HB2 ASP 53 HB2 ASP 53 6.931 12.527 5.184 780 HB3 ASP 53 HB3 ASP 53 7.636 13.681 4.056 781 H ALA 54 H ALA 54 6.046 14.303 1.738 782 HA ALA 54 HA ALA 54 6.206 17.118 1.951 783 HB1 ALA 54 HB1 ALA 54 7.370 15.858 0.238 784 HB2 ALA 54 HB2 ALA 54 6.291 17.044 -0.500 785 HB3 ALA 54 HB3 ALA 54 5.830 15.340 -0.442 786 H GLN 55 H GLN 55 3.692 14.911 0.779 787 HA GLN 55 HA GLN 55 1.884 17.120 0.251 788 HB2 GLN 55 HB2 GLN 55 1.501 14.131 0.010 789 HB3 GLN 55 HB3 GLN 55 0.308 15.334 -0.462 790 HG2 GLN 55 HG2 GLN 55 1.947 16.253 -2.075 791 HG3 GLN 55 HG3 GLN 55 3.039 14.933 -1.658 792 HE21 GLN 55 HE21 GLN 55 1.787 15.624 -4.199 793 HE22 GLN 55 HE22 GLN 55 0.906 14.223 -4.694 794 H ALA 56 H ALA 56 2.856 15.650 2.960 795 HA ALA 56 HA ALA 56 0.321 15.228 4.256 796 HB1 ALA 56 HB1 ALA 56 1.716 14.879 6.270 797 HB2 ALA 56 HB2 ALA 56 3.135 15.327 5.320 798 HB3 ALA 56 HB3 ALA 56 2.213 13.885 4.900 Start of MODEL 6 1 H GLN 10 H GLN 10 -15.265 8.731 10.925 2 HA GLN 10 HA GLN 10 -16.355 8.418 8.191 3 HB2 GLN 10 HB2 GLN 10 -13.750 9.504 9.225 4 HB3 GLN 10 HB3 GLN 10 -13.885 8.832 7.607 5 HG2 GLN 10 HG2 GLN 10 -15.531 10.451 7.010 6 HG3 GLN 10 HG3 GLN 10 -15.574 11.085 8.655 7 HE21 GLN 10 HE21 GLN 10 -13.914 11.054 5.636 8 HE22 GLN 10 HE22 GLN 10 -12.757 12.280 6.024 9 H ARG 11 H ARG 11 -14.639 7.075 6.981 10 HA ARG 11 HA ARG 11 -13.567 4.902 8.596 11 HB2 ARG 11 HB2 ARG 11 -14.608 3.211 7.183 12 HB3 ARG 11 HB3 ARG 11 -15.817 4.216 7.971 13 HG2 ARG 11 HG2 ARG 11 -16.406 5.288 6.032 14 HG3 ARG 11 HG3 ARG 11 -14.864 4.904 5.254 15 HD2 ARG 11 HD2 ARG 11 -16.747 3.591 4.334 16 HD3 ARG 11 HD3 ARG 11 -15.504 2.578 5.072 17 HE ARG 11 HE ARG 11 -17.143 2.770 7.107 18 HH11 ARG 11 HH11 ARG 11 -18.031 2.429 3.732 19 HH12 ARG 11 HH12 ARG 11 -19.431 1.461 4.071 20 HH21 ARG 11 HH21 ARG 11 -18.995 1.515 7.553 21 HH22 ARG 11 HH22 ARG 11 -19.977 0.941 6.241 22 H LEU 12 H LEU 12 -12.183 6.886 7.422 23 HA LEU 12 HA LEU 12 -11.243 6.380 4.808 24 HB2 LEU 12 HB2 LEU 12 -9.925 7.839 7.064 25 HB3 LEU 12 HB3 LEU 12 -9.475 7.926 5.370 26 HG LEU 12 HG LEU 12 -12.026 8.919 6.617 27 HD11 LEU 12 HD11 LEU 12 -10.047 10.258 6.954 28 HD12 LEU 12 HD12 LEU 12 -11.179 11.056 5.858 29 HD13 LEU 12 HD13 LEU 12 -9.743 10.246 5.222 30 HD21 LEU 12 HD21 LEU 12 -11.192 8.845 3.717 31 HD22 LEU 12 HD22 LEU 12 -12.584 9.716 4.356 32 HD23 LEU 12 HD23 LEU 12 -12.533 7.956 4.440 33 H ALA 13 H ALA 13 -8.835 5.922 4.419 34 HA ALA 13 HA ALA 13 -7.888 3.910 6.332 35 HB1 ALA 13 HB1 ALA 13 -7.358 2.341 4.664 36 HB2 ALA 13 HB2 ALA 13 -7.684 3.491 3.366 37 HB3 ALA 13 HB3 ALA 13 -9.012 2.858 4.338 38 H ASN 14 H ASN 14 -5.780 3.768 6.647 39 HA ASN 14 HA ASN 14 -4.015 5.590 5.147 40 HB2 ASN 14 HB2 ASN 14 -3.818 4.608 8.009 41 HB3 ASN 14 HB3 ASN 14 -2.550 5.511 7.188 42 HD21 ASN 14 HD21 ASN 14 -5.707 5.657 8.622 43 HD22 ASN 14 HD22 ASN 14 -5.832 7.381 8.653 44 H PHE 15 H PHE 15 -1.891 4.734 4.645 45 HA PHE 15 HA PHE 15 -1.964 1.803 4.474 46 HB2 PHE 15 HB2 PHE 15 -1.778 3.291 2.358 47 HB3 PHE 15 HB3 PHE 15 -0.113 3.567 2.879 48 HD1 PHE 15 HD1 PHE 15 -2.488 1.143 1.536 49 HD2 PHE 15 HD2 PHE 15 1.515 1.762 2.859 50 HE1 PHE 15 HE1 PHE 15 -1.814 -0.976 0.486 51 HE2 PHE 15 HE2 PHE 15 2.191 -0.357 1.808 52 HZ PHE 15 HZ PHE 15 0.524 -1.728 0.622 53 H LEU 16 H LEU 16 -0.947 1.030 6.207 54 HA LEU 16 HA LEU 16 1.602 2.258 6.971 55 HB2 LEU 16 HB2 LEU 16 1.314 1.521 9.147 56 HB3 LEU 16 HB3 LEU 16 -0.314 1.983 8.679 57 HG LEU 16 HG LEU 16 0.792 -0.814 8.912 58 HD11 LEU 16 HD11 LEU 16 0.225 0.233 11.025 59 HD12 LEU 16 HD12 LEU 16 -0.955 -1.018 10.638 60 HD13 LEU 16 HD13 LEU 16 -1.362 0.686 10.404 61 HD21 LEU 16 HD21 LEU 16 -1.963 0.011 8.040 62 HD22 LEU 16 HD22 LEU 16 -1.385 -1.636 8.316 63 HD23 LEU 16 HD23 LEU 16 -0.710 -0.673 7.002 64 H VAL 17 H VAL 17 3.252 0.683 7.751 65 HA VAL 17 HA VAL 17 2.985 -1.966 6.639 66 HB VAL 17 HB VAL 17 3.873 -0.954 4.735 67 HG11 VAL 17 HG11 VAL 17 4.438 1.199 5.760 68 HG12 VAL 17 HG12 VAL 17 5.663 0.605 4.639 69 HG13 VAL 17 HG13 VAL 17 5.921 0.469 6.378 70 HG21 VAL 17 HG21 VAL 17 6.158 -1.817 4.554 71 HG22 VAL 17 HG22 VAL 17 5.075 -2.962 5.345 72 HG23 VAL 17 HG23 VAL 17 6.196 -2.000 6.307 73 H HIS 18 H HIS 18 3.793 -3.405 7.939 74 HA HIS 18 HA HIS 18 5.494 -2.678 10.159 75 HB2 HIS 18 HB2 HIS 18 3.761 -4.494 10.304 76 HB3 HIS 18 HB3 HIS 18 4.729 -5.449 9.183 77 HD1 HIS 18 HD1 HIS 18 6.854 -6.588 10.138 78 HD2 HIS 18 HD2 HIS 18 4.785 -4.293 12.914 79 HE1 HIS 18 HE1 HIS 18 7.861 -7.148 12.370 80 HE2 HIS 18 HE2 HIS 18 6.471 -5.887 14.046 81 H SER 19 H SER 19 7.556 -2.284 9.791 82 HA SER 19 HA SER 19 8.633 -2.050 7.347 83 HB2 SER 19 HB2 SER 19 9.479 -0.979 9.382 84 HB3 SER 19 HB3 SER 19 10.202 -2.506 9.883 85 HG SER 19 HG SER 19 11.339 -2.367 7.762 86 H SER 20 H SER 20 8.741 -5.092 9.119 87 HA SER 20 HA SER 20 11.119 -5.984 7.831 88 HB2 SER 20 HB2 SER 20 10.464 -8.203 8.877 89 HB3 SER 20 HB3 SER 20 10.695 -6.853 9.989 90 HG SER 20 HG SER 20 8.570 -8.368 9.755 91 H ASN 21 H ASN 21 7.674 -7.037 7.441 92 HA ASN 21 HA ASN 21 8.489 -8.043 4.799 93 HB2 ASN 21 HB2 ASN 21 6.935 -9.604 6.859 94 HB3 ASN 21 HB3 ASN 21 7.094 -10.084 5.176 95 HD21 ASN 21 HD21 ASN 21 9.059 -10.840 4.424 96 HD22 ASN 21 HD22 ASN 21 10.336 -11.325 5.488 97 H ASN 22 H ASN 22 5.891 -6.712 6.759 98 HA ASN 22 HA ASN 22 4.024 -7.292 4.553 99 HB2 ASN 22 HB2 ASN 22 3.439 -7.133 7.510 100 HB3 ASN 22 HB3 ASN 22 2.229 -7.367 6.257 101 HD21 ASN 22 HD21 ASN 22 2.915 -9.062 8.498 102 HD22 ASN 22 HD22 ASN 22 3.357 -10.595 7.831 103 H PHE 23 H PHE 23 3.508 -5.526 3.453 104 HA PHE 23 HA PHE 23 2.985 -3.027 4.809 105 HB2 PHE 23 HB2 PHE 23 2.207 -2.421 2.416 106 HB3 PHE 23 HB3 PHE 23 3.921 -2.621 2.709 107 HD1 PHE 23 HD1 PHE 23 1.029 -3.772 0.842 108 HD2 PHE 23 HD2 PHE 23 5.028 -4.744 1.970 109 HE1 PHE 23 HE1 PHE 23 1.142 -5.420 -0.970 110 HE2 PHE 23 HE2 PHE 23 5.136 -6.397 0.150 111 HZ PHE 23 HZ PHE 23 3.193 -6.734 -1.322 112 H GLY 24 H GLY 24 0.910 -2.166 5.121 113 HA2 GLY 24 HA2 GLY 24 -1.320 -3.931 4.387 114 HA3 GLY 24 HA3 GLY 24 -1.050 -3.602 6.088 115 H ALA 25 H ALA 25 -3.201 -2.808 6.061 116 HA ALA 25 HA ALA 25 -3.345 -0.012 5.307 117 HB1 ALA 25 HB1 ALA 25 -5.690 -0.370 4.516 118 HB2 ALA 25 HB2 ALA 25 -5.390 -2.113 4.593 119 HB3 ALA 25 HB3 ALA 25 -4.459 -1.093 3.479 120 H ILE 26 H ILE 26 -5.243 1.034 6.395 121 HA ILE 26 HA ILE 26 -6.320 -0.326 8.673 122 HB ILE 26 HB ILE 26 -4.178 0.190 9.588 123 HG12 ILE 26 HG12 ILE 26 -6.294 2.108 10.582 124 HG13 ILE 26 HG13 ILE 26 -6.190 0.397 10.971 125 HG21 ILE 26 HG21 ILE 26 -3.522 2.007 8.105 126 HG22 ILE 26 HG22 ILE 26 -3.360 2.481 9.796 127 HG23 ILE 26 HG23 ILE 26 -4.728 3.060 8.845 128 HD11 ILE 26 HD11 ILE 26 -4.366 2.605 11.782 129 HD12 ILE 26 HD12 ILE 26 -3.887 0.912 11.862 130 HD13 ILE 26 HD13 ILE 26 -5.273 1.482 12.796 131 H LEU 27 H LEU 27 -8.235 0.481 9.156 132 HA LEU 27 HA LEU 27 -9.146 2.868 7.786 133 HB2 LEU 27 HB2 LEU 27 -10.558 0.740 9.367 134 HB3 LEU 27 HB3 LEU 27 -11.355 2.211 8.860 135 HG LEU 27 HG LEU 27 -10.175 0.111 7.051 136 HD11 LEU 27 HD11 LEU 27 -12.512 -0.138 6.352 137 HD12 LEU 27 HD12 LEU 27 -12.982 1.007 7.617 138 HD13 LEU 27 HD13 LEU 27 -12.265 -0.549 8.053 139 HD21 LEU 27 HD21 LEU 27 -11.442 2.777 6.472 140 HD22 LEU 27 HD22 LEU 27 -11.330 1.479 5.280 141 HD23 LEU 27 HD23 LEU 27 -9.858 2.187 5.957 142 H SER 28 H SER 28 -10.366 4.467 8.869 143 HA SER 28 HA SER 28 -9.701 4.863 11.684 144 HB2 SER 28 HB2 SER 28 -8.973 6.834 9.505 145 HB3 SER 28 HB3 SER 28 -8.803 7.111 11.235 146 HG SER 28 HG SER 28 -7.617 4.803 10.637 147 H SER 29 H SER 29 -11.493 5.407 12.671 148 HA SER 29 HA SER 29 -13.792 6.399 11.259 149 HB2 SER 29 HB2 SER 29 -13.824 4.810 13.254 150 HB3 SER 29 HB3 SER 29 -13.427 6.201 14.253 151 HG SER 29 HG SER 29 -15.558 6.278 14.312 152 H THR 30 H THR 30 -11.715 7.558 13.854 153 HA THR 30 HA THR 30 -12.273 10.321 13.022 154 HB THR 30 HB THR 30 -12.026 10.914 15.494 155 HG1 THR 30 HG1 THR 30 -11.232 8.719 15.995 156 HG21 THR 30 HG21 THR 30 -14.382 10.365 16.001 157 HG22 THR 30 HG22 THR 30 -14.409 9.280 14.610 158 HG23 THR 30 HG23 THR 30 -14.183 11.013 14.373 159 H GLY 13 H GLY 13 13.520 -4.440 9.440 160 HA2 GLY 13 HA2 GLY 13 13.742 -2.774 11.877 161 HA3 GLY 13 HA3 GLY 13 13.022 -2.265 10.356 162 H GLY 14 H GLY 14 11.920 -2.636 13.137 163 HA2 GLY 14 HA2 GLY 14 9.778 -4.541 12.421 164 HA3 GLY 14 HA3 GLY 14 10.389 -4.362 14.057 165 H GLU 15 H GLU 15 10.206 -1.387 12.414 166 HA GLU 15 HA GLU 15 8.069 -0.570 14.170 167 HB2 GLU 15 HB2 GLU 15 8.541 1.676 13.377 168 HB3 GLU 15 HB3 GLU 15 10.054 0.867 13.765 169 HG2 GLU 15 HG2 GLU 15 10.345 0.372 11.358 170 HG3 GLU 15 HG3 GLU 15 8.897 1.297 11.032 171 H ILE 16 H ILE 16 6.052 0.176 13.527 172 HA ILE 16 HA ILE 16 5.237 -0.619 10.826 173 HB ILE 16 HB ILE 16 3.499 0.058 13.203 174 HG12 ILE 16 HG12 ILE 16 4.174 -2.637 12.017 175 HG13 ILE 16 HG13 ILE 16 4.895 -1.990 13.487 176 HG21 ILE 16 HG21 ILE 16 1.712 -0.970 11.856 177 HG22 ILE 16 HG22 ILE 16 2.841 -1.144 10.514 178 HG23 ILE 16 HG23 ILE 16 2.385 0.464 11.080 179 HD11 ILE 16 HD11 ILE 16 3.125 -3.571 13.972 180 HD12 ILE 16 HD12 ILE 16 1.982 -2.580 13.068 181 HD13 ILE 16 HD13 ILE 16 2.716 -1.955 14.546 182 H VAL 17 H VAL 17 5.514 1.015 9.466 183 HA VAL 17 HA VAL 17 5.049 3.720 10.444 184 HB VAL 17 HB VAL 17 6.020 4.337 8.137 185 HG11 VAL 17 HG11 VAL 17 7.811 2.972 10.154 186 HG12 VAL 17 HG12 VAL 17 7.085 4.565 10.392 187 HG13 VAL 17 HG13 VAL 17 8.229 4.308 9.078 188 HG21 VAL 17 HG21 VAL 17 7.603 2.689 7.257 189 HG22 VAL 17 HG22 VAL 17 5.923 2.181 7.096 190 HG23 VAL 17 HG23 VAL 17 6.937 1.484 8.361 191 H TYR 18 H TYR 18 3.346 4.789 10.019 192 HA TYR 18 HA TYR 18 1.432 3.899 8.014 193 HB2 TYR 18 HB2 TYR 18 1.253 6.176 10.005 194 HB3 TYR 18 HB3 TYR 18 -0.054 5.604 8.981 195 HD1 TYR 18 HD1 TYR 18 -1.531 3.981 9.783 196 HD2 TYR 18 HD2 TYR 18 2.219 4.494 11.719 197 HE1 TYR 18 HE1 TYR 18 -2.263 2.486 11.579 198 HE2 TYR 18 HE2 TYR 18 1.503 2.985 13.519 199 HH TYR 18 HH TYR 18 -0.571 2.183 14.525 200 H LEU 19 H LEU 19 1.646 4.682 5.989 201 HA LEU 19 HA LEU 19 2.779 7.371 5.663 202 HB2 LEU 19 HB2 LEU 19 2.401 5.227 3.583 203 HB3 LEU 19 HB3 LEU 19 3.173 6.753 3.340 204 HG LEU 19 HG LEU 19 4.843 5.154 3.443 205 HD11 LEU 19 HD11 LEU 19 5.242 7.203 4.597 206 HD12 LEU 19 HD12 LEU 19 6.114 5.869 5.364 207 HD13 LEU 19 HD13 LEU 19 4.633 6.496 6.091 208 HD21 LEU 19 HD21 LEU 19 5.137 3.539 5.221 209 HD22 LEU 19 HD22 LEU 19 3.550 3.337 4.470 210 HD23 LEU 19 HD23 LEU 19 3.692 4.143 6.031 211 HA PRO 20 HA PRO 20 -1.663 7.970 4.879 212 HB2 PRO 20 HB2 PRO 20 -1.979 10.240 6.247 213 HB3 PRO 20 HB3 PRO 20 -1.791 8.687 7.069 214 HG2 PRO 20 HG2 PRO 20 0.178 10.888 6.702 215 HG3 PRO 20 HG3 PRO 20 -0.040 9.790 8.074 216 HD2 PRO 20 HD2 PRO 20 1.872 9.546 6.031 217 HD3 PRO 20 HD3 PRO 20 1.427 8.296 7.207 218 H ASN 21 H ASN 21 1.006 10.038 4.075 219 HA ASN 21 HA ASN 21 -0.772 11.797 2.531 220 HB2 ASN 21 HB2 ASN 21 2.053 12.256 3.497 221 HB3 ASN 21 HB3 ASN 21 1.153 13.378 2.483 222 HD21 ASN 21 HD21 ASN 21 -0.509 14.571 3.365 223 HD22 ASN 21 HD22 ASN 21 -0.760 14.694 5.073 224 H LEU 22 H LEU 22 0.782 9.088 1.918 225 HA LEU 22 HA LEU 22 2.403 9.762 -0.322 226 HB2 LEU 22 HB2 LEU 22 1.103 7.171 0.490 227 HB3 LEU 22 HB3 LEU 22 2.126 7.329 -0.923 228 HG LEU 22 HG LEU 22 2.944 7.685 1.950 229 HD11 LEU 22 HD11 LEU 22 2.714 5.367 1.214 230 HD12 LEU 22 HD12 LEU 22 4.406 5.787 1.468 231 HD13 LEU 22 HD13 LEU 22 3.758 5.700 -0.167 232 HD21 LEU 22 HD21 LEU 22 5.171 8.081 1.150 233 HD22 LEU 22 HD22 LEU 22 4.067 9.325 0.552 234 HD23 LEU 22 HD23 LEU 22 4.608 8.035 -0.527 235 H ASN 23 H ASN 23 1.971 9.648 -2.471 236 HA ASN 23 HA ASN 23 -0.705 10.244 -3.296 237 HB2 ASN 23 HB2 ASN 23 1.645 9.468 -5.044 238 HB3 ASN 23 HB3 ASN 23 0.193 10.300 -5.557 239 HD21 ASN 23 HD21 ASN 23 3.257 10.560 -4.261 240 HD22 ASN 23 HD22 ASN 23 3.308 12.261 -4.047 241 HA PRO 24 HA PRO 24 -2.365 6.099 -3.585 242 HB2 PRO 24 HB2 PRO 24 -3.770 7.472 -5.844 243 HB3 PRO 24 HB3 PRO 24 -4.428 6.421 -4.590 244 HG2 PRO 24 HG2 PRO 24 -4.751 9.041 -4.416 245 HG3 PRO 24 HG3 PRO 24 -4.358 8.093 -2.968 246 HD2 PRO 24 HD2 PRO 24 -2.615 9.891 -4.584 247 HD3 PRO 24 HD3 PRO 24 -2.603 9.573 -2.839 248 H ASP 25 H ASP 25 -1.444 7.950 -6.435 249 HA ASP 25 HA ASP 25 -1.031 5.783 -8.177 250 HB2 ASP 25 HB2 ASP 25 -1.212 7.946 -9.138 251 HB3 ASP 25 HB3 ASP 25 0.089 8.579 -8.136 252 H GLN 26 H GLN 26 1.205 7.455 -5.961 253 HA GLN 26 HA GLN 26 3.420 5.969 -7.054 254 HB2 GLN 26 HB2 GLN 26 4.855 7.313 -5.834 255 HB3 GLN 26 HB3 GLN 26 3.512 8.390 -6.189 256 HG2 GLN 26 HG2 GLN 26 2.670 8.166 -3.960 257 HG3 GLN 26 HG3 GLN 26 3.860 6.913 -3.593 258 HE21 GLN 26 HE21 GLN 26 5.929 8.416 -5.111 259 HE22 GLN 26 HE22 GLN 26 6.395 9.710 -4.064 260 H LEU 27 H LEU 27 1.158 5.459 -4.506 261 HA LEU 27 HA LEU 27 2.591 3.671 -2.921 262 HB2 LEU 27 HB2 LEU 27 -0.307 3.646 -3.768 263 HB3 LEU 27 HB3 LEU 27 0.369 2.436 -2.698 264 HG LEU 27 HG LEU 27 0.287 5.393 -2.143 265 HD11 LEU 27 HD11 LEU 27 -1.458 4.927 -0.609 266 HD12 LEU 27 HD12 LEU 27 -1.269 3.185 -0.822 267 HD13 LEU 27 HD13 LEU 27 -1.899 4.174 -2.142 268 HD21 LEU 27 HD21 LEU 27 0.972 4.684 0.120 269 HD22 LEU 27 HD22 LEU 27 2.192 4.362 -1.111 270 HD23 LEU 27 HD23 LEU 27 1.190 3.046 -0.499 271 H CYS 28 H CYS 28 1.045 3.221 -6.052 272 HA CYS 28 HA CYS 28 1.481 0.489 -6.392 273 HB2 CYS 28 HB2 CYS 28 1.716 2.557 -8.582 274 HB3 CYS 28 HB3 CYS 28 1.211 0.878 -8.740 275 H ALA 29 H ALA 29 3.582 3.256 -7.013 276 HA ALA 29 HA ALA 29 5.731 1.836 -8.171 277 HB1 ALA 29 HB1 ALA 29 5.731 4.480 -6.708 278 HB2 ALA 29 HB2 ALA 29 5.470 4.244 -8.439 279 HB3 ALA 29 HB3 ALA 29 7.037 3.867 -7.726 280 H PHE 30 H PHE 30 5.180 3.016 -4.866 281 HA PHE 30 HA PHE 30 7.600 2.114 -3.780 282 HB2 PHE 30 HB2 PHE 30 6.612 3.673 -2.431 283 HB3 PHE 30 HB3 PHE 30 4.989 3.085 -2.757 284 HD1 PHE 30 HD1 PHE 30 3.862 1.957 -1.144 285 HD2 PHE 30 HD2 PHE 30 8.103 2.118 -0.944 286 HE1 PHE 30 HE1 PHE 30 3.793 0.841 1.053 287 HE2 PHE 30 HE2 PHE 30 8.049 0.999 1.248 288 HZ PHE 30 HZ PHE 30 5.891 0.360 2.250 289 H ILE 31 H ILE 31 4.380 0.614 -3.823 290 HA ILE 31 HA ILE 31 5.149 -1.674 -2.358 291 HB ILE 31 HB ILE 31 2.821 -1.233 -4.217 292 HG12 ILE 31 HG12 ILE 31 2.876 -1.301 -1.197 293 HG13 ILE 31 HG13 ILE 31 3.070 0.185 -2.120 294 HG21 ILE 31 HG21 ILE 31 3.233 -3.608 -4.038 295 HG22 ILE 31 HG22 ILE 31 1.805 -3.183 -3.095 296 HG23 ILE 31 HG23 ILE 31 3.337 -3.487 -2.281 297 HD11 ILE 31 HD11 ILE 31 0.676 -1.627 -2.255 298 HD12 ILE 31 HD12 ILE 31 0.868 -0.068 -3.061 299 HD13 ILE 31 HD13 ILE 31 0.786 -0.148 -1.301 300 H HIS 32 H HIS 32 5.062 -0.939 -5.767 301 HA HIS 32 HA HIS 32 5.656 -3.527 -6.732 302 HB2 HIS 32 HB2 HIS 32 4.866 -1.597 -8.139 303 HB3 HIS 32 HB3 HIS 32 6.474 -0.898 -7.991 304 HD1 HIS 32 HD1 HIS 32 8.393 -2.042 -9.320 305 HD2 HIS 32 HD2 HIS 32 4.642 -3.731 -9.915 306 HE1 HIS 32 HE1 HIS 32 8.635 -3.534 -11.323 307 HE2 HIS 32 HE2 HIS 32 6.307 -4.366 -11.789 308 H SER 33 H SER 33 7.638 -0.872 -5.575 309 HA SER 33 HA SER 33 10.137 -1.976 -6.315 310 HB2 SER 33 HB2 SER 33 9.524 0.015 -4.121 311 HB3 SER 33 HB3 SER 33 11.102 -0.281 -4.851 312 HG SER 33 HG SER 33 8.802 0.639 -6.254 313 H ILE 34 H ILE 34 8.119 -2.258 -3.434 314 HA ILE 34 HA ILE 34 9.981 -3.665 -1.823 315 HB ILE 34 HB ILE 34 6.958 -3.844 -1.814 316 HG12 ILE 34 HG12 ILE 34 7.825 -1.551 -1.440 317 HG13 ILE 34 HG13 ILE 34 7.035 -2.203 -0.008 318 HG21 ILE 34 HG21 ILE 34 7.194 -4.678 0.475 319 HG22 ILE 34 HG22 ILE 34 8.952 -4.634 0.317 320 HG23 ILE 34 HG23 ILE 34 8.004 -5.740 -0.678 321 HD11 ILE 34 HD11 ILE 34 9.067 -0.991 0.558 322 HD12 ILE 34 HD12 ILE 34 10.010 -2.076 -0.469 323 HD13 ILE 34 HD13 ILE 34 9.207 -2.699 0.972 324 H HIS 35 H HIS 35 7.690 -4.623 -4.275 325 HA HIS 35 HA HIS 35 7.922 -7.427 -3.721 326 HB2 HIS 35 HB2 HIS 35 5.880 -6.276 -4.638 327 HB3 HIS 35 HB3 HIS 35 6.742 -6.108 -6.165 328 HD1 HIS 35 HD1 HIS 35 6.482 -7.989 -7.772 329 HD2 HIS 35 HD2 HIS 35 5.572 -9.119 -3.876 330 HE1 HIS 35 HE1 HIS 35 5.582 -10.324 -7.938 331 HE2 HIS 35 HE2 HIS 35 5.172 -11.040 -5.560 332 H ASP 36 H ASP 36 9.227 -5.171 -6.101 333 HA ASP 36 HA ASP 36 10.576 -7.246 -7.573 334 HB2 ASP 36 HB2 ASP 36 9.765 -5.160 -8.657 335 HB3 ASP 36 HB3 ASP 36 10.948 -4.247 -7.726 336 H ASP 37 H ASP 37 11.559 -4.697 -5.266 337 HA ASP 37 HA ASP 37 14.068 -6.162 -4.898 338 HB2 ASP 37 HB2 ASP 37 13.410 -3.254 -4.915 339 HB3 ASP 37 HB3 ASP 37 14.648 -3.818 -3.818 340 HA PRO 38 HA PRO 38 11.605 -6.518 -0.998 341 HB2 PRO 38 HB2 PRO 38 12.039 -9.115 -0.526 342 HB3 PRO 38 HB3 PRO 38 10.848 -8.577 -1.709 343 HG2 PRO 38 HG2 PRO 38 13.646 -9.535 -2.173 344 HG3 PRO 38 HG3 PRO 38 12.161 -9.983 -3.031 345 HD2 PRO 38 HD2 PRO 38 13.916 -8.132 -3.975 346 HD3 PRO 38 HD3 PRO 38 12.174 -8.067 -4.308 347 H SER 39 H SER 39 14.856 -7.171 -1.865 348 HA SER 39 HA SER 39 15.769 -7.468 0.861 349 HB2 SER 39 HB2 SER 39 17.422 -7.065 -1.641 350 HB3 SER 39 HB3 SER 39 17.983 -7.675 -0.084 351 HG SER 39 HG SER 39 16.088 -9.281 -0.611 352 H GLN 40 H GLN 40 15.560 -4.947 -1.584 353 HA GLN 40 HA GLN 40 16.987 -3.032 0.022 354 HB2 GLN 40 HB2 GLN 40 15.250 -2.526 -2.395 355 HB3 GLN 40 HB3 GLN 40 16.412 -1.429 -1.685 356 HG2 GLN 40 HG2 GLN 40 18.150 -3.182 -2.229 357 HG3 GLN 40 HG3 GLN 40 16.918 -3.917 -3.246 358 HE21 GLN 40 HE21 GLN 40 19.463 -2.700 -4.004 359 HE22 GLN 40 HE22 GLN 40 19.076 -1.430 -5.111 360 H SER 41 H SER 41 13.956 -4.360 0.210 361 HA SER 41 HA SER 41 12.051 -2.461 0.297 362 HB2 SER 41 HB2 SER 41 10.928 -3.820 2.070 363 HB3 SER 41 HB3 SER 41 11.513 -4.768 0.703 364 HG SER 41 HG SER 41 12.383 -5.903 2.261 365 H ALA 42 H ALA 42 14.381 -3.083 2.863 366 HA ALA 42 HA ALA 42 13.480 -1.499 4.913 367 HB1 ALA 42 HB1 ALA 42 15.803 -1.308 5.602 368 HB2 ALA 42 HB2 ALA 42 16.329 -1.787 3.989 369 HB3 ALA 42 HB3 ALA 42 15.464 -2.935 5.012 370 H ASN 43 H ASN 43 15.304 -0.481 2.061 371 HA ASN 43 HA ASN 43 15.307 2.288 2.905 372 HB2 ASN 43 HB2 ASN 43 17.227 1.345 1.636 373 HB3 ASN 43 HB3 ASN 43 16.165 1.111 0.251 374 HD21 ASN 43 HD21 ASN 43 17.205 2.494 -1.117 375 HD22 ASN 43 HD22 ASN 43 17.253 4.208 -0.885 376 H LEU 44 H LEU 44 13.567 0.227 0.630 377 HA LEU 44 HA LEU 44 12.325 2.265 -0.838 378 HB2 LEU 44 HB2 LEU 44 11.590 -0.586 -0.315 379 HB3 LEU 44 HB3 LEU 44 10.457 0.466 -1.134 380 HG LEU 44 HG LEU 44 11.489 -0.507 -2.927 381 HD11 LEU 44 HD11 LEU 44 13.025 1.030 -3.952 382 HD12 LEU 44 HD12 LEU 44 13.393 1.758 -2.390 383 HD13 LEU 44 HD13 LEU 44 11.781 1.931 -3.082 384 HD21 LEU 44 HD21 LEU 44 14.099 -0.489 -1.433 385 HD22 LEU 44 HD22 LEU 44 13.848 -1.112 -3.063 386 HD23 LEU 44 HD23 LEU 44 13.045 -1.878 -1.694 387 H LEU 45 H LEU 45 11.380 0.781 2.260 388 HA LEU 45 HA LEU 45 8.980 2.437 2.258 389 HB2 LEU 45 HB2 LEU 45 8.164 1.232 4.008 390 HB3 LEU 45 HB3 LEU 45 9.212 0.034 3.280 391 HG LEU 45 HG LEU 45 10.235 1.731 5.529 392 HD11 LEU 45 HD11 LEU 45 9.439 0.018 7.098 393 HD12 LEU 45 HD12 LEU 45 8.552 -0.756 5.782 394 HD13 LEU 45 HD13 LEU 45 8.106 0.867 6.311 395 HD21 LEU 45 HD21 LEU 45 11.813 0.317 4.338 396 HD22 LEU 45 HD22 LEU 45 10.782 -1.088 4.613 397 HD23 LEU 45 HD23 LEU 45 11.556 -0.281 5.977 398 H ALA 46 H ALA 46 12.206 2.555 3.389 399 HA ALA 46 HA ALA 46 12.030 4.580 5.325 400 HB1 ALA 46 HB1 ALA 46 14.180 4.214 3.234 401 HB2 ALA 46 HB2 ALA 46 14.100 3.326 4.764 402 HB3 ALA 46 HB3 ALA 46 14.338 5.075 4.771 403 H GLU 47 H GLU 47 12.244 4.634 1.834 404 HA GLU 47 HA GLU 47 12.244 7.401 1.412 405 HB2 GLU 47 HB2 GLU 47 11.066 5.226 -0.323 406 HB3 GLU 47 HB3 GLU 47 11.517 6.848 -0.850 407 HG2 GLU 47 HG2 GLU 47 13.830 6.380 -0.236 408 HG3 GLU 47 HG3 GLU 47 13.363 4.737 0.220 409 H ALA 48 H ALA 48 9.627 5.059 1.598 410 HA ALA 48 HA ALA 48 7.478 6.693 0.993 411 HB1 ALA 48 HB1 ALA 48 6.080 5.102 2.120 412 HB2 ALA 48 HB2 ALA 48 7.449 4.506 3.061 413 HB3 ALA 48 HB3 ALA 48 7.396 4.236 1.318 414 H LYS 49 H LYS 49 9.171 6.309 4.061 415 HA LYS 49 HA LYS 49 7.452 7.893 5.649 416 HB2 LYS 49 HB2 LYS 49 10.405 7.356 5.978 417 HB3 LYS 49 HB3 LYS 49 9.351 8.017 7.214 418 HG2 LYS 49 HG2 LYS 49 8.092 5.958 7.259 419 HG3 LYS 49 HG3 LYS 49 9.087 5.288 5.970 420 HD2 LYS 49 HD2 LYS 49 9.857 4.430 8.092 421 HD3 LYS 49 HD3 LYS 49 11.067 5.534 7.441 422 HE2 LYS 49 HE2 LYS 49 10.325 7.294 8.908 423 HE3 LYS 49 HE3 LYS 49 8.985 6.304 9.480 424 HZ1 LYS 49 HZ1 LYS 49 10.892 6.386 11.015 425 HZ2 LYS 49 HZ2 LYS 49 11.845 5.612 9.853 426 HZ3 LYS 49 HZ3 LYS 49 10.511 4.810 10.525 427 H LYS 50 H LYS 50 10.164 8.656 3.575 428 HA LYS 50 HA LYS 50 10.278 11.436 4.340 429 HB2 LYS 50 HB2 LYS 50 12.290 10.298 3.568 430 HB3 LYS 50 HB3 LYS 50 11.516 9.902 2.041 431 HG2 LYS 50 HG2 LYS 50 11.363 12.335 1.556 432 HG3 LYS 50 HG3 LYS 50 12.295 12.636 3.024 433 HD2 LYS 50 HD2 LYS 50 13.217 10.967 0.686 434 HD3 LYS 50 HD3 LYS 50 13.701 12.634 1.002 435 HE2 LYS 50 HE2 LYS 50 14.185 10.306 2.859 436 HE3 LYS 50 HE3 LYS 50 15.375 10.977 1.748 437 HZ1 LYS 50 HZ1 LYS 50 14.077 12.465 3.965 438 HZ2 LYS 50 HZ2 LYS 50 15.258 13.074 2.920 439 HZ3 LYS 50 HZ3 LYS 50 15.643 11.830 3.998 440 H LEU 51 H LEU 51 8.894 9.474 1.826 441 HA LEU 51 HA LEU 51 8.120 11.424 -0.004 442 HB2 LEU 51 HB2 LEU 51 7.558 8.621 0.583 443 HB3 LEU 51 HB3 LEU 51 6.230 9.446 -0.182 444 HG LEU 51 HG LEU 51 7.612 9.988 -2.088 445 HD11 LEU 51 HD11 LEU 51 9.761 10.269 -0.949 446 HD12 LEU 51 HD12 LEU 51 9.893 9.147 -2.302 447 HD13 LEU 51 HD13 LEU 51 9.830 8.530 -0.651 448 HD21 LEU 51 HD21 LEU 51 7.932 7.744 -2.953 449 HD22 LEU 51 HD22 LEU 51 6.433 7.844 -2.023 450 HD23 LEU 51 HD23 LEU 51 7.865 7.090 -1.315 451 H ASN 52 H ASN 52 6.217 9.874 2.612 452 HA ASN 52 HA ASN 52 3.905 11.440 2.109 453 HB2 ASN 52 HB2 ASN 52 2.941 10.435 4.003 454 HB3 ASN 52 HB3 ASN 52 4.050 9.214 3.393 455 HD21 ASN 52 HD21 ASN 52 3.373 11.453 5.951 456 HD22 ASN 52 HD22 ASN 52 4.579 10.876 7.046 457 H ASP 53 H ASP 53 6.805 12.034 3.873 458 HA ASP 53 HA ASP 53 5.725 14.194 5.443 459 HB2 ASP 53 HB2 ASP 53 7.651 12.883 6.246 460 HB3 ASP 53 HB3 ASP 53 8.600 13.432 4.870 461 H ALA 54 H ALA 54 7.341 13.774 2.395 462 HA ALA 54 HA ALA 54 7.722 16.575 1.898 463 HB1 ALA 54 HB1 ALA 54 9.175 14.885 0.886 464 HB2 ALA 54 HB2 ALA 54 8.374 15.860 -0.342 465 HB3 ALA 54 HB3 ALA 54 7.798 14.231 0.001 466 H GLN 55 H GLN 55 5.357 14.113 1.026 467 HA GLN 55 HA GLN 55 3.787 16.031 -0.512 468 HB2 GLN 55 HB2 GLN 55 3.298 13.098 0.043 469 HB3 GLN 55 HB3 GLN 55 2.376 14.097 -1.069 470 HG2 GLN 55 HG2 GLN 55 5.316 13.528 -1.349 471 HG3 GLN 55 HG3 GLN 55 4.046 12.607 -2.150 472 HE21 GLN 55 HE21 GLN 55 2.390 14.963 -2.621 473 HE22 GLN 55 HE22 GLN 55 3.152 15.838 -3.902 474 H ALA 56 H ALA 56 4.138 16.051 2.516 475 HA ALA 56 HA ALA 56 1.571 15.420 3.603 476 HB1 ALA 56 HB1 ALA 56 4.025 16.803 4.610 477 HB2 ALA 56 HB2 ALA 56 3.360 15.243 5.096 478 HB3 ALA 56 HB3 ALA 56 2.548 16.737 5.574 479 H GLY 13 H GLY 13 -14.353 0.406 12.057 480 HA2 GLY 13 HA2 GLY 13 -13.008 2.139 10.067 481 HA3 GLY 13 HA3 GLY 13 -14.240 2.651 11.212 482 H GLY 14 H GLY 14 -11.184 0.790 11.333 483 HA2 GLY 14 HA2 GLY 14 -9.572 2.521 12.655 484 HA3 GLY 14 HA3 GLY 14 -10.592 1.900 13.947 485 H GLU 15 H GLU 15 -10.510 -0.596 11.931 486 HA GLU 15 HA GLU 15 -8.528 -1.972 13.482 487 HB2 GLU 15 HB2 GLU 15 -9.110 -3.923 12.041 488 HB3 GLU 15 HB3 GLU 15 -10.459 -3.231 12.901 489 HG2 GLU 15 HG2 GLU 15 -9.863 -2.510 10.082 490 HG3 GLU 15 HG3 GLU 15 -10.779 -3.952 10.474 491 H ILE 16 H ILE 16 -6.774 -3.113 12.651 492 HA ILE 16 HA ILE 16 -5.470 -1.747 10.398 493 HB ILE 16 HB ILE 16 -4.160 -3.694 12.296 494 HG12 ILE 16 HG12 ILE 16 -4.546 -0.714 12.536 495 HG13 ILE 16 HG13 ILE 16 -4.933 -1.955 13.717 496 HG21 ILE 16 HG21 ILE 16 -3.003 -3.304 10.187 497 HG22 ILE 16 HG22 ILE 16 -2.104 -2.598 11.531 498 HG23 ILE 16 HG23 ILE 16 -3.058 -1.562 10.467 499 HD11 ILE 16 HD11 ILE 16 -2.180 -1.087 12.879 500 HD12 ILE 16 HD12 ILE 16 -2.538 -2.377 14.033 501 HD13 ILE 16 HD13 ILE 16 -2.985 -0.710 14.403 502 H VAL 17 H VAL 17 -5.004 -2.812 8.513 503 HA VAL 17 HA VAL 17 -5.832 -5.642 8.425 504 HB VAL 17 HB VAL 17 -6.815 -3.421 6.626 505 HG11 VAL 17 HG11 VAL 17 -6.698 -5.204 5.198 506 HG12 VAL 17 HG12 VAL 17 -8.352 -5.304 5.810 507 HG13 VAL 17 HG13 VAL 17 -7.105 -6.380 6.449 508 HG21 VAL 17 HG21 VAL 17 -9.026 -3.997 7.502 509 HG22 VAL 17 HG22 VAL 17 -7.933 -3.367 8.731 510 HG23 VAL 17 HG23 VAL 17 -8.262 -5.099 8.648 511 H TYR 18 H TYR 18 -3.804 -6.466 7.988 512 HA TYR 18 HA TYR 18 -2.068 -5.190 6.044 513 HB2 TYR 18 HB2 TYR 18 -1.719 -7.674 7.724 514 HB3 TYR 18 HB3 TYR 18 -0.502 -7.064 6.610 515 HD1 TYR 18 HD1 TYR 18 0.430 -4.735 7.022 516 HD2 TYR 18 HD2 TYR 18 -1.860 -6.856 9.909 517 HE1 TYR 18 HE1 TYR 18 1.339 -3.292 8.791 518 HE2 TYR 18 HE2 TYR 18 -0.960 -5.418 11.686 519 HH TYR 18 HH TYR 18 0.626 -2.550 11.105 520 H LEU 19 H LEU 19 -1.824 -5.745 3.967 521 HA LEU 19 HA LEU 19 -2.811 -8.365 3.082 522 HB2 LEU 19 HB2 LEU 19 -3.573 -5.681 1.963 523 HB3 LEU 19 HB3 LEU 19 -3.622 -7.115 0.965 524 HG LEU 19 HG LEU 19 -5.182 -8.116 2.690 525 HD11 LEU 19 HD11 LEU 19 -6.345 -6.639 4.142 526 HD12 LEU 19 HD12 LEU 19 -5.429 -5.253 3.549 527 HD13 LEU 19 HD13 LEU 19 -4.621 -6.514 4.483 528 HD21 LEU 19 HD21 LEU 19 -7.109 -6.857 1.841 529 HD22 LEU 19 HD22 LEU 19 -5.974 -7.326 0.571 530 HD23 LEU 19 HD23 LEU 19 -5.997 -5.661 1.168 531 HA PRO 20 HA PRO 20 1.288 -7.373 1.192 532 HB2 PRO 20 HB2 PRO 20 2.758 -9.325 2.259 533 HB3 PRO 20 HB3 PRO 20 2.382 -7.861 3.176 534 HG2 PRO 20 HG2 PRO 20 1.147 -10.577 3.350 535 HG3 PRO 20 HG3 PRO 20 1.557 -9.447 4.652 536 HD2 PRO 20 HD2 PRO 20 -0.975 -9.777 3.564 537 HD3 PRO 20 HD3 PRO 20 -0.431 -8.347 4.464 538 H ASN 21 H ASN 21 -0.964 -9.847 1.057 539 HA ASN 21 HA ASN 21 0.544 -11.494 -0.818 540 HB2 ASN 21 HB2 ASN 21 -2.270 -11.803 0.252 541 HB3 ASN 21 HB3 ASN 21 -1.503 -12.919 -0.868 542 HD21 ASN 21 HD21 ASN 21 -1.614 -14.661 0.495 543 HD22 ASN 21 HD22 ASN 21 -0.659 -14.793 1.931 544 H LEU 22 H LEU 22 -1.440 -8.805 -0.822 545 HA LEU 22 HA LEU 22 -2.709 -9.079 -3.330 546 HB2 LEU 22 HB2 LEU 22 -1.926 -6.710 -1.668 547 HB3 LEU 22 HB3 LEU 22 -2.680 -6.527 -3.239 548 HG LEU 22 HG LEU 22 -3.898 -7.857 -0.814 549 HD11 LEU 22 HD11 LEU 22 -3.726 -5.357 -0.837 550 HD12 LEU 22 HD12 LEU 22 -5.364 -5.990 -0.772 551 HD13 LEU 22 HD13 LEU 22 -4.728 -5.366 -2.288 552 HD21 LEU 22 HD21 LEU 22 -4.913 -7.540 -3.628 553 HD22 LEU 22 HD22 LEU 22 -5.939 -7.904 -2.240 554 HD23 LEU 22 HD23 LEU 22 -4.665 -9.033 -2.716 555 H ASN 23 H ASN 23 -2.001 -8.735 -5.328 556 HA ASN 23 HA ASN 23 0.810 -8.356 -5.790 557 HB2 ASN 23 HB2 ASN 23 -1.423 -8.332 -7.835 558 HB3 ASN 23 HB3 ASN 23 0.287 -8.634 -8.129 559 HD21 ASN 23 HD21 ASN 23 -2.063 -10.254 -8.740 560 HD22 ASN 23 HD22 ASN 23 -1.791 -11.782 -7.979 561 HA PRO 24 HA PRO 24 1.026 -3.908 -5.887 562 HB2 PRO 24 HB2 PRO 24 2.358 -4.469 -8.519 563 HB3 PRO 24 HB3 PRO 24 2.826 -3.332 -7.248 564 HG2 PRO 24 HG2 PRO 24 4.066 -5.661 -7.438 565 HG3 PRO 24 HG3 PRO 24 3.621 -5.019 -5.848 566 HD2 PRO 24 HD2 PRO 24 2.398 -7.247 -7.397 567 HD3 PRO 24 HD3 PRO 24 2.521 -7.025 -5.641 568 H ASP 25 H ASP 25 0.391 -5.423 -9.038 569 HA ASP 25 HA ASP 25 -1.073 -3.372 -10.220 570 HB2 ASP 25 HB2 ASP 25 -1.533 -6.340 -10.590 571 HB3 ASP 25 HB3 ASP 25 -1.942 -5.062 -11.729 572 H GLN 26 H GLN 26 -2.233 -6.155 -8.348 573 HA GLN 26 HA GLN 26 -4.978 -5.618 -8.623 574 HB2 GLN 26 HB2 GLN 26 -3.494 -7.175 -6.497 575 HB3 GLN 26 HB3 GLN 26 -5.248 -7.148 -6.659 576 HG2 GLN 26 HG2 GLN 26 -3.290 -8.177 -8.698 577 HG3 GLN 26 HG3 GLN 26 -4.310 -9.154 -7.651 578 HE21 GLN 26 HE21 GLN 26 -4.166 -9.044 -10.566 579 HE22 GLN 26 HE22 GLN 26 -5.764 -8.657 -11.104 580 H LEU 27 H LEU 27 -2.777 -4.916 -5.886 581 HA LEU 27 HA LEU 27 -4.845 -3.689 -4.372 582 HB2 LEU 27 HB2 LEU 27 -2.963 -2.850 -2.928 583 HB3 LEU 27 HB3 LEU 27 -3.094 -4.582 -3.106 584 HG LEU 27 HG LEU 27 -1.270 -4.324 -4.917 585 HD11 LEU 27 HD11 LEU 27 -1.320 -1.936 -5.163 586 HD12 LEU 27 HD12 LEU 27 0.246 -2.424 -4.515 587 HD13 LEU 27 HD13 LEU 27 -0.967 -1.715 -3.451 588 HD21 LEU 27 HD21 LEU 27 -0.595 -3.849 -2.009 589 HD22 LEU 27 HD22 LEU 27 0.470 -4.528 -3.243 590 HD23 LEU 27 HD23 LEU 27 -0.967 -5.414 -2.742 591 H CYS 28 H CYS 28 -2.756 -2.536 -6.843 592 HA CYS 28 HA CYS 28 -2.750 0.207 -6.273 593 HB2 CYS 28 HB2 CYS 28 -1.338 -0.858 -8.011 594 HB3 CYS 28 HB3 CYS 28 -2.774 -1.121 -8.994 595 H ALA 29 H ALA 29 -5.107 -1.847 -7.883 596 HA ALA 29 HA ALA 29 -6.765 0.238 -8.853 597 HB1 ALA 29 HB1 ALA 29 -7.477 -2.630 -8.243 598 HB2 ALA 29 HB2 ALA 29 -6.818 -2.035 -9.767 599 HB3 ALA 29 HB3 ALA 29 -8.415 -1.512 -9.233 600 H PHE 30 H PHE 30 -6.766 -1.688 -5.888 601 HA PHE 30 HA PHE 30 -9.205 -0.615 -4.895 602 HB2 PHE 30 HB2 PHE 30 -6.947 -1.968 -3.406 603 HB3 PHE 30 HB3 PHE 30 -8.546 -1.634 -2.746 604 HD1 PHE 30 HD1 PHE 30 -6.658 -4.194 -3.823 605 HD2 PHE 30 HD2 PHE 30 -10.429 -2.422 -4.668 606 HE1 PHE 30 HE1 PHE 30 -7.456 -6.331 -4.728 607 HE2 PHE 30 HE2 PHE 30 -11.238 -4.560 -5.572 608 HZ PHE 30 HZ PHE 30 -9.748 -6.520 -5.603 609 H ILE 31 H ILE 31 -5.798 0.180 -4.407 610 HA ILE 31 HA ILE 31 -6.074 2.204 -2.512 611 HB ILE 31 HB ILE 31 -4.121 1.911 -4.792 612 HG12 ILE 31 HG12 ILE 31 -3.833 1.513 -1.803 613 HG13 ILE 31 HG13 ILE 31 -4.012 0.220 -2.999 614 HG21 ILE 31 HG21 ILE 31 -2.774 3.655 -3.792 615 HG22 ILE 31 HG22 ILE 31 -3.990 3.906 -2.538 616 HG23 ILE 31 HG23 ILE 31 -4.365 4.287 -4.218 617 HD11 ILE 31 HD11 ILE 31 -1.704 0.436 -2.348 618 HD12 ILE 31 HD12 ILE 31 -1.707 2.151 -2.761 619 HD13 ILE 31 HD13 ILE 31 -1.892 0.936 -4.030 620 H HIS 32 H HIS 32 -6.204 2.393 -6.048 621 HA HIS 32 HA HIS 32 -6.767 5.150 -6.205 622 HB2 HIS 32 HB2 HIS 32 -5.981 3.694 -8.097 623 HB3 HIS 32 HB3 HIS 32 -7.600 3.009 -8.176 624 HD1 HIS 32 HD1 HIS 32 -9.376 4.350 -9.391 625 HD2 HIS 32 HD2 HIS 32 -5.807 6.422 -8.906 626 HE1 HIS 32 HE1 HIS 32 -9.605 6.429 -10.785 627 HE2 HIS 32 HE2 HIS 32 -7.390 7.610 -10.566 628 H SER 33 H SER 33 -8.793 2.326 -5.794 629 HA SER 33 HA SER 33 -11.276 3.579 -6.292 630 HB2 SER 33 HB2 SER 33 -10.719 1.066 -6.241 631 HB3 SER 33 HB3 SER 33 -10.887 1.189 -4.492 632 HG SER 33 HG SER 33 -12.974 2.354 -5.777 633 H ILE 34 H ILE 34 -9.425 2.987 -3.313 634 HA ILE 34 HA ILE 34 -11.257 4.077 -1.478 635 HB ILE 34 HB ILE 34 -8.232 4.162 -1.348 636 HG12 ILE 34 HG12 ILE 34 -9.094 1.872 -1.583 637 HG13 ILE 34 HG13 ILE 34 -8.411 2.135 0.018 638 HG21 ILE 34 HG21 ILE 34 -8.530 4.377 1.076 639 HG22 ILE 34 HG22 ILE 34 -10.278 4.458 0.849 640 HG23 ILE 34 HG23 ILE 34 -9.245 5.734 0.206 641 HD11 ILE 34 HD11 ILE 34 -10.642 2.396 0.939 642 HD12 ILE 34 HD12 ILE 34 -10.472 0.847 0.112 643 HD13 ILE 34 HD13 ILE 34 -11.338 2.171 -0.664 644 H HIS 35 H HIS 35 -8.802 5.525 -3.501 645 HA HIS 35 HA HIS 35 -8.892 8.154 -2.548 646 HB2 HIS 35 HB2 HIS 35 -7.122 7.477 -4.025 647 HB3 HIS 35 HB3 HIS 35 -8.266 7.037 -5.286 648 HD1 HIS 35 HD1 HIS 35 -9.179 8.910 -6.776 649 HD2 HIS 35 HD2 HIS 35 -6.588 10.236 -3.798 650 HE1 HIS 35 HE1 HIS 35 -8.637 11.296 -7.352 651 HE2 HIS 35 HE2 HIS 35 -6.997 12.048 -5.598 652 H ASP 36 H ASP 36 -10.761 6.563 -5.103 653 HA ASP 36 HA ASP 36 -12.136 9.021 -5.730 654 HB2 ASP 36 HB2 ASP 36 -12.091 6.275 -6.904 655 HB3 ASP 36 HB3 ASP 36 -13.394 7.382 -7.329 656 H ASP 37 H ASP 37 -12.695 6.382 -3.642 657 HA ASP 37 HA ASP 37 -15.188 7.601 -2.854 658 HB2 ASP 37 HB2 ASP 37 -15.695 5.784 -4.653 659 HB3 ASP 37 HB3 ASP 37 -15.338 4.634 -3.356 660 HA PRO 38 HA PRO 38 -12.716 5.974 0.696 661 HB2 PRO 38 HB2 PRO 38 -12.972 8.226 2.180 662 HB3 PRO 38 HB3 PRO 38 -11.699 8.022 0.973 663 HG2 PRO 38 HG2 PRO 38 -14.327 9.446 0.722 664 HG3 PRO 38 HG3 PRO 38 -12.714 9.987 0.217 665 HD2 PRO 38 HD2 PRO 38 -14.461 8.935 -1.540 666 HD3 PRO 38 HD3 PRO 38 -12.717 8.646 -1.671 667 H SER 39 H SER 39 -15.847 6.650 -0.055 668 HA SER 39 HA SER 39 -16.960 6.333 2.600 669 HB2 SER 39 HB2 SER 39 -18.369 6.256 -0.076 670 HB3 SER 39 HB3 SER 39 -19.106 6.523 1.502 671 HG SER 39 HG SER 39 -18.277 8.355 -0.124 672 H GLN 40 H GLN 40 -16.676 4.470 -0.421 673 HA GLN 40 HA GLN 40 -17.653 2.037 0.734 674 HB2 GLN 40 HB2 GLN 40 -16.018 2.499 -1.762 675 HB3 GLN 40 HB3 GLN 40 -16.892 1.028 -1.358 676 HG2 GLN 40 HG2 GLN 40 -18.234 3.679 -1.660 677 HG3 GLN 40 HG3 GLN 40 -17.974 2.588 -3.004 678 HE21 GLN 40 HE21 GLN 40 -20.466 3.517 -1.907 679 HE22 GLN 40 HE22 GLN 40 -21.339 2.119 -1.386 680 H SER 41 H SER 41 -14.967 3.707 1.375 681 HA SER 41 HA SER 41 -12.677 2.414 1.007 682 HB2 SER 41 HB2 SER 41 -12.895 4.462 2.327 683 HB3 SER 41 HB3 SER 41 -13.572 3.537 3.664 684 HG SER 41 HG SER 41 -11.534 3.518 4.235 685 H ALA 42 H ALA 42 -14.560 1.631 3.950 686 HA ALA 42 HA ALA 42 -13.148 -0.575 4.754 687 HB1 ALA 42 HB1 ALA 42 -14.882 0.580 6.054 688 HB2 ALA 42 HB2 ALA 42 -15.081 -1.175 6.057 689 HB3 ALA 42 HB3 ALA 42 -16.112 -0.172 5.029 690 H ASN 43 H ASN 43 -15.856 -0.496 2.483 691 HA ASN 43 HA ASN 43 -15.977 -3.337 2.217 692 HB2 ASN 43 HB2 ASN 43 -17.943 -2.028 1.786 693 HB3 ASN 43 HB3 ASN 43 -17.124 -1.118 0.525 694 HD21 ASN 43 HD21 ASN 43 -18.532 -4.186 1.393 695 HD22 ASN 43 HD22 ASN 43 -18.673 -4.797 -0.220 696 H LEU 44 H LEU 44 -14.377 -0.740 0.447 697 HA LEU 44 HA LEU 44 -13.356 -2.379 -1.645 698 HB2 LEU 44 HB2 LEU 44 -12.714 0.322 -0.536 699 HB3 LEU 44 HB3 LEU 44 -11.561 -0.437 -1.610 700 HG LEU 44 HG LEU 44 -12.826 -0.060 -3.458 701 HD11 LEU 44 HD11 LEU 44 -14.662 -1.484 -3.037 702 HD12 LEU 44 HD12 LEU 44 -15.341 0.113 -3.404 703 HD13 LEU 44 HD13 LEU 44 -15.253 -0.448 -1.734 704 HD21 LEU 44 HD21 LEU 44 -14.083 2.048 -3.291 705 HD22 LEU 44 HD22 LEU 44 -12.524 2.124 -2.471 706 HD23 LEU 44 HD23 LEU 44 -14.006 1.935 -1.533 707 H LEU 45 H LEU 45 -12.516 -1.792 1.649 708 HA LEU 45 HA LEU 45 -9.863 -2.806 1.540 709 HB2 LEU 45 HB2 LEU 45 -10.519 -1.190 3.252 710 HB3 LEU 45 HB3 LEU 45 -11.846 -2.197 3.726 711 HG LEU 45 HG LEU 45 -9.818 -2.097 5.256 712 HD11 LEU 45 HD11 LEU 45 -11.160 -3.682 6.051 713 HD12 LEU 45 HD12 LEU 45 -10.158 -4.840 5.167 714 HD13 LEU 45 HD13 LEU 45 -11.624 -4.176 4.416 715 HD21 LEU 45 HD21 LEU 45 -8.051 -3.646 4.715 716 HD22 LEU 45 HD22 LEU 45 -8.200 -2.445 3.433 717 HD23 LEU 45 HD23 LEU 45 -8.854 -4.062 3.203 718 H ALA 46 H ALA 46 -13.076 -3.937 2.454 719 HA ALA 46 HA ALA 46 -12.434 -6.579 3.149 720 HB1 ALA 46 HB1 ALA 46 -14.997 -5.449 2.018 721 HB2 ALA 46 HB2 ALA 46 -14.567 -5.575 3.723 722 HB3 ALA 46 HB3 ALA 46 -14.830 -7.036 2.771 723 H GLU 47 H GLU 47 -13.239 -5.084 0.069 724 HA GLU 47 HA GLU 47 -13.353 -7.395 -1.520 725 HB2 GLU 47 HB2 GLU 47 -14.117 -5.160 -2.240 726 HB3 GLU 47 HB3 GLU 47 -12.448 -4.609 -2.273 727 HG2 GLU 47 HG2 GLU 47 -13.202 -5.091 -4.496 728 HG3 GLU 47 HG3 GLU 47 -11.950 -6.250 -4.023 729 H ALA 48 H ALA 48 -10.662 -5.150 -0.909 730 HA ALA 48 HA ALA 48 -8.653 -6.592 -2.193 731 HB1 ALA 48 HB1 ALA 48 -8.463 -4.825 0.244 732 HB2 ALA 48 HB2 ALA 48 -8.264 -4.334 -1.440 733 HB3 ALA 48 HB3 ALA 48 -7.083 -5.409 -0.686 734 H LYS 49 H LYS 49 -9.764 -6.773 1.192 735 HA LYS 49 HA LYS 49 -7.984 -8.710 2.083 736 HB2 LYS 49 HB2 LYS 49 -10.344 -7.428 3.048 737 HB3 LYS 49 HB3 LYS 49 -10.469 -9.153 3.371 738 HG2 LYS 49 HG2 LYS 49 -8.162 -7.396 4.144 739 HG3 LYS 49 HG3 LYS 49 -9.463 -7.901 5.222 740 HD2 LYS 49 HD2 LYS 49 -8.827 -10.256 4.842 741 HD3 LYS 49 HD3 LYS 49 -7.489 -9.713 3.830 742 HE2 LYS 49 HE2 LYS 49 -6.545 -8.509 5.753 743 HE3 LYS 49 HE3 LYS 49 -7.870 -9.094 6.757 744 HZ1 LYS 49 HZ1 LYS 49 -7.128 -11.365 6.321 745 HZ2 LYS 49 HZ2 LYS 49 -5.908 -10.452 7.057 746 HZ3 LYS 49 HZ3 LYS 49 -5.835 -10.779 5.397 747 H LYS 50 H LYS 50 -10.994 -9.077 0.308 748 HA LYS 50 HA LYS 50 -11.254 -11.861 0.449 749 HB2 LYS 50 HB2 LYS 50 -12.969 -10.367 -0.499 750 HB3 LYS 50 HB3 LYS 50 -11.910 -10.003 -1.852 751 HG2 LYS 50 HG2 LYS 50 -13.539 -11.578 -2.573 752 HG3 LYS 50 HG3 LYS 50 -11.984 -12.404 -2.481 753 HD2 LYS 50 HD2 LYS 50 -12.604 -13.399 -0.362 754 HD3 LYS 50 HD3 LYS 50 -14.120 -12.497 -0.353 755 HE2 LYS 50 HE2 LYS 50 -14.497 -14.790 -1.069 756 HE3 LYS 50 HE3 LYS 50 -14.827 -13.665 -2.382 757 HZ1 LYS 50 HZ1 LYS 50 -13.592 -15.533 -3.203 758 HZ2 LYS 50 HZ2 LYS 50 -12.382 -15.314 -2.047 759 HZ3 LYS 50 HZ3 LYS 50 -12.603 -14.163 -3.267 760 H LEU 51 H LEU 51 -9.465 -9.803 -1.803 761 HA LEU 51 HA LEU 51 -8.338 -11.860 -3.380 762 HB2 LEU 51 HB2 LEU 51 -8.424 -9.106 -3.375 763 HB3 LEU 51 HB3 LEU 51 -6.743 -9.440 -3.034 764 HG LEU 51 HG LEU 51 -8.117 -10.687 -5.393 765 HD11 LEU 51 HD11 LEU 51 -7.384 -8.816 -6.733 766 HD12 LEU 51 HD12 LEU 51 -6.691 -8.036 -5.307 767 HD13 LEU 51 HD13 LEU 51 -8.443 -8.240 -5.438 768 HD21 LEU 51 HD21 LEU 51 -5.960 -11.627 -4.797 769 HD22 LEU 51 HD22 LEU 51 -5.242 -10.016 -4.747 770 HD23 LEU 51 HD23 LEU 51 -5.805 -10.682 -6.280 771 H ASN 52 H ASN 52 -7.067 -9.987 -0.629 772 HA ASN 52 HA ASN 52 -4.643 -11.192 -0.188 773 HB2 ASN 52 HB2 ASN 52 -5.435 -9.334 1.151 774 HB3 ASN 52 HB3 ASN 52 -6.714 -10.323 1.837 775 HD21 ASN 52 HD21 ASN 52 -3.448 -11.479 1.350 776 HD22 ASN 52 HD22 ASN 52 -3.035 -11.584 3.023 777 H ASP 53 H ASP 53 -7.812 -12.353 0.971 778 HA ASP 53 HA ASP 53 -6.784 -14.629 2.313 779 HB2 ASP 53 HB2 ASP 53 -8.939 -13.828 2.968 780 HB3 ASP 53 HB3 ASP 53 -9.548 -13.929 1.320 781 H ALA 54 H ALA 54 -7.862 -14.004 -0.913 782 HA ALA 54 HA ALA 54 -8.076 -16.655 -1.845 783 HB1 ALA 54 HB1 ALA 54 -7.925 -15.596 -4.072 784 HB2 ALA 54 HB2 ALA 54 -7.487 -14.080 -3.279 785 HB3 ALA 54 HB3 ALA 54 -9.075 -14.791 -3.003 786 H GLN 55 H GLN 55 -5.451 -14.290 -1.888 787 HA GLN 55 HA GLN 55 -3.625 -16.172 -3.118 788 HB2 GLN 55 HB2 GLN 55 -3.213 -13.359 -2.089 789 HB3 GLN 55 HB3 GLN 55 -1.989 -14.306 -2.926 790 HG2 GLN 55 HG2 GLN 55 -4.654 -13.545 -4.101 791 HG3 GLN 55 HG3 GLN 55 -3.154 -12.657 -4.362 792 HE21 GLN 55 HE21 GLN 55 -3.258 -13.022 -6.581 793 HE22 GLN 55 HE22 GLN 55 -2.898 -14.564 -7.276 794 H ALA 56 H ALA 56 -4.831 -16.043 -0.172 795 HA ALA 56 HA ALA 56 -2.327 -16.563 1.248 796 HB1 ALA 56 HB1 ALA 56 -5.166 -16.152 2.142 797 HB2 ALA 56 HB2 ALA 56 -3.778 -15.101 2.424 798 HB3 ALA 56 HB3 ALA 56 -3.882 -16.663 3.239 Start of MODEL 7 1 H GLN 10 H GLN 10 -14.260 11.705 8.737 2 HA GLN 10 HA GLN 10 -15.155 9.462 8.491 3 HB2 GLN 10 HB2 GLN 10 -15.396 9.529 6.024 4 HB3 GLN 10 HB3 GLN 10 -15.746 11.054 6.814 5 HG2 GLN 10 HG2 GLN 10 -13.483 11.823 6.257 6 HG3 GLN 10 HG3 GLN 10 -13.218 10.310 5.399 7 HE21 GLN 10 HE21 GLN 10 -14.903 13.334 5.414 8 HE22 GLN 10 HE22 GLN 10 -15.411 13.296 3.765 9 H ARG 11 H ARG 11 -14.967 7.674 6.747 10 HA ARG 11 HA ARG 11 -12.741 6.132 7.491 11 HB2 ARG 11 HB2 ARG 11 -14.918 5.659 5.485 12 HB3 ARG 11 HB3 ARG 11 -13.654 4.477 5.837 13 HG2 ARG 11 HG2 ARG 11 -14.310 4.908 8.269 14 HG3 ARG 11 HG3 ARG 11 -15.827 5.494 7.587 15 HD2 ARG 11 HD2 ARG 11 -15.963 3.336 6.304 16 HD3 ARG 11 HD3 ARG 11 -14.616 2.753 7.277 17 HE ARG 11 HE ARG 11 -16.258 3.385 9.211 18 HH11 ARG 11 HH11 ARG 11 -17.043 1.921 6.133 19 HH12 ARG 11 HH12 ARG 11 -18.424 1.067 6.737 20 HH21 ARG 11 HH21 ARG 11 -18.096 2.265 10.015 21 HH22 ARG 11 HH22 ARG 11 -19.035 1.280 8.943 22 H LEU 12 H LEU 12 -10.887 6.559 6.903 23 HA LEU 12 HA LEU 12 -10.188 6.235 4.102 24 HB2 LEU 12 HB2 LEU 12 -9.010 8.258 6.009 25 HB3 LEU 12 HB3 LEU 12 -8.133 7.692 4.605 26 HG LEU 12 HG LEU 12 -9.018 9.684 3.860 27 HD11 LEU 12 HD11 LEU 12 -11.125 7.657 3.166 28 HD12 LEU 12 HD12 LEU 12 -9.587 7.884 2.328 29 HD13 LEU 12 HD13 LEU 12 -10.806 9.160 2.294 30 HD21 LEU 12 HD21 LEU 12 -11.319 10.440 4.305 31 HD22 LEU 12 HD22 LEU 12 -10.372 10.227 5.778 32 HD23 LEU 12 HD23 LEU 12 -11.567 9.015 5.315 33 H ALA 13 H ALA 13 -8.102 5.233 3.821 34 HA ALA 13 HA ALA 13 -7.370 3.689 6.204 35 HB1 ALA 13 HB1 ALA 13 -6.642 1.912 4.764 36 HB2 ALA 13 HB2 ALA 13 -6.999 2.883 3.332 37 HB3 ALA 13 HB3 ALA 13 -8.311 2.342 4.380 38 H ASN 14 H ASN 14 -5.462 3.912 6.991 39 HA ASN 14 HA ASN 14 -3.399 5.396 5.579 40 HB2 ASN 14 HB2 ASN 14 -3.109 4.027 8.253 41 HB3 ASN 14 HB3 ASN 14 -2.227 5.420 7.645 42 HD21 ASN 14 HD21 ASN 14 -5.125 4.295 9.141 43 HD22 ASN 14 HD22 ASN 14 -5.773 5.845 9.556 44 H PHE 15 H PHE 15 -1.378 4.409 5.016 45 HA PHE 15 HA PHE 15 -1.620 1.490 4.779 46 HB2 PHE 15 HB2 PHE 15 -1.404 3.042 2.701 47 HB3 PHE 15 HB3 PHE 15 0.293 3.150 3.167 48 HD1 PHE 15 HD1 PHE 15 -2.382 0.847 2.110 49 HD2 PHE 15 HD2 PHE 15 1.795 1.364 2.767 50 HE1 PHE 15 HE1 PHE 15 -1.940 -1.277 0.951 51 HE2 PHE 15 HE2 PHE 15 2.239 -0.759 1.610 52 HZ PHE 15 HZ PHE 15 0.374 -2.081 0.700 53 H LEU 16 H LEU 16 -0.662 0.711 6.562 54 HA LEU 16 HA LEU 16 1.950 1.795 7.307 55 HB2 LEU 16 HB2 LEU 16 1.683 0.935 9.455 56 HB3 LEU 16 HB3 LEU 16 0.079 1.517 9.043 57 HG LEU 16 HG LEU 16 1.017 -1.349 9.126 58 HD11 LEU 16 HD11 LEU 16 -0.722 -1.543 10.859 59 HD12 LEU 16 HD12 LEU 16 -1.038 0.191 10.717 60 HD13 LEU 16 HD13 LEU 16 0.531 -0.379 11.294 61 HD21 LEU 16 HD21 LEU 16 -1.650 -0.272 8.260 62 HD22 LEU 16 HD22 LEU 16 -1.264 -1.971 8.543 63 HD23 LEU 16 HD23 LEU 16 -0.457 -1.086 7.245 64 H VAL 17 H VAL 17 3.593 0.182 7.933 65 HA VAL 17 HA VAL 17 3.333 -2.373 6.620 66 HB VAL 17 HB VAL 17 4.005 -1.150 4.732 67 HG11 VAL 17 HG11 VAL 17 5.766 0.446 4.631 68 HG12 VAL 17 HG12 VAL 17 6.175 0.154 6.321 69 HG13 VAL 17 HG13 VAL 17 4.634 0.908 5.903 70 HG21 VAL 17 HG21 VAL 17 6.466 -2.297 5.993 71 HG22 VAL 17 HG22 VAL 17 6.289 -1.929 4.276 72 HG23 VAL 17 HG23 VAL 17 5.286 -3.174 5.022 73 H HIS 18 H HIS 18 4.404 -3.894 7.638 74 HA HIS 18 HA HIS 18 6.165 -3.324 9.827 75 HB2 HIS 18 HB2 HIS 18 4.663 -5.417 9.467 76 HB3 HIS 18 HB3 HIS 18 5.963 -5.990 8.424 77 HD1 HIS 18 HD1 HIS 18 6.945 -7.828 9.811 78 HD2 HIS 18 HD2 HIS 18 6.447 -4.316 11.975 79 HE1 HIS 18 HE1 HIS 18 8.021 -8.248 12.041 80 HE2 HIS 18 HE2 HIS 18 7.581 -6.164 13.385 81 H SER 19 H SER 19 8.230 -2.849 9.639 82 HA SER 19 HA SER 19 9.262 -1.635 7.573 83 HB2 SER 19 HB2 SER 19 11.521 -1.997 8.536 84 HB3 SER 19 HB3 SER 19 10.292 -1.570 9.725 85 HG SER 19 HG SER 19 11.878 -3.634 9.795 86 H SER 20 H SER 20 9.686 -5.186 7.800 87 HA SER 20 HA SER 20 11.816 -4.984 5.844 88 HB2 SER 20 HB2 SER 20 11.963 -6.449 7.880 89 HB3 SER 20 HB3 SER 20 10.746 -7.487 7.143 90 HG SER 20 HG SER 20 13.398 -6.989 6.339 91 H ASN 21 H ASN 21 8.658 -6.738 6.002 92 HA ASN 21 HA ASN 21 8.864 -6.961 3.079 93 HB2 ASN 21 HB2 ASN 21 9.730 -9.036 4.018 94 HB3 ASN 21 HB3 ASN 21 8.249 -9.258 4.940 95 HD21 ASN 21 HD21 ASN 21 6.430 -10.027 3.937 96 HD22 ASN 21 HD22 ASN 21 6.439 -10.639 2.315 97 H ASN 22 H ASN 22 6.756 -6.730 5.861 98 HA ASN 22 HA ASN 22 4.458 -7.464 4.188 99 HB2 ASN 22 HB2 ASN 22 4.837 -7.443 7.178 100 HB3 ASN 22 HB3 ASN 22 3.266 -7.675 6.420 101 HD21 ASN 22 HD21 ASN 22 3.056 -9.728 7.277 102 HD22 ASN 22 HD22 ASN 22 3.966 -11.075 6.687 103 H PHE 23 H PHE 23 3.697 -5.655 3.203 104 HA PHE 23 HA PHE 23 3.179 -3.276 4.764 105 HB2 PHE 23 HB2 PHE 23 2.122 -2.597 2.482 106 HB3 PHE 23 HB3 PHE 23 3.867 -2.642 2.645 107 HD1 PHE 23 HD1 PHE 23 0.939 -4.068 0.981 108 HD2 PHE 23 HD2 PHE 23 5.137 -4.486 1.619 109 HE1 PHE 23 HE1 PHE 23 1.084 -5.577 -0.947 110 HE2 PHE 23 HE2 PHE 23 5.277 -5.993 -0.317 111 HZ PHE 23 HZ PHE 23 3.250 -6.542 -1.601 112 H GLY 24 H GLY 24 1.114 -2.499 5.290 113 HA2 GLY 24 HA2 GLY 24 -1.111 -4.333 4.701 114 HA3 GLY 24 HA3 GLY 24 -0.758 -3.922 6.369 115 H ALA 25 H ALA 25 -2.965 -3.157 6.394 116 HA ALA 25 HA ALA 25 -3.180 -0.407 5.489 117 HB1 ALA 25 HB1 ALA 25 -4.304 -1.660 3.748 118 HB2 ALA 25 HB2 ALA 25 -5.501 -0.798 4.718 119 HB3 ALA 25 HB3 ALA 25 -5.255 -2.533 4.958 120 H ILE 26 H ILE 26 -4.946 0.740 6.573 121 HA ILE 26 HA ILE 26 -6.144 -0.481 8.872 122 HB ILE 26 HB ILE 26 -4.028 -0.128 9.868 123 HG12 ILE 26 HG12 ILE 26 -5.793 2.175 10.710 124 HG13 ILE 26 HG13 ILE 26 -6.116 0.497 11.141 125 HG21 ILE 26 HG21 ILE 26 -3.104 1.486 8.302 126 HG22 ILE 26 HG22 ILE 26 -2.946 2.069 9.960 127 HG23 ILE 26 HG23 ILE 26 -4.204 2.721 8.911 128 HD11 ILE 26 HD11 ILE 26 -3.983 2.322 12.066 129 HD12 ILE 26 HD12 ILE 26 -3.664 0.592 12.000 130 HD13 ILE 26 HD13 ILE 26 -5.003 1.206 12.976 131 H LEU 27 H LEU 27 -7.991 0.489 9.327 132 HA LEU 27 HA LEU 27 -8.710 2.801 7.750 133 HB2 LEU 27 HB2 LEU 27 -10.266 0.815 9.342 134 HB3 LEU 27 HB3 LEU 27 -10.998 2.328 8.840 135 HG LEU 27 HG LEU 27 -9.838 0.235 7.006 136 HD11 LEU 27 HD11 LEU 27 -11.981 -0.351 8.084 137 HD12 LEU 27 HD12 LEU 27 -12.123 -0.120 6.337 138 HD13 LEU 27 HD13 LEU 27 -12.667 1.147 7.443 139 HD21 LEU 27 HD21 LEU 27 -9.544 2.411 6.026 140 HD22 LEU 27 HD22 LEU 27 -11.199 2.867 6.448 141 HD23 LEU 27 HD23 LEU 27 -10.908 1.611 5.237 142 H SER 28 H SER 28 -9.849 4.536 8.566 143 HA SER 28 HA SER 28 -9.608 5.107 11.409 144 HB2 SER 28 HB2 SER 28 -8.394 6.826 9.235 145 HB3 SER 28 HB3 SER 28 -8.659 7.376 10.890 146 HG SER 28 HG SER 28 -7.411 4.997 10.914 147 H SER 29 H SER 29 -11.073 6.696 12.114 148 HA SER 29 HA SER 29 -12.974 7.732 10.161 149 HB2 SER 29 HB2 SER 29 -13.718 5.902 12.450 150 HB3 SER 29 HB3 SER 29 -14.876 6.830 11.506 151 HG SER 29 HG SER 29 -13.272 5.521 9.829 152 H THR 30 H THR 30 -12.347 7.366 13.632 153 HA THR 30 HA THR 30 -13.362 9.982 14.241 154 HB THR 30 HB THR 30 -12.457 9.514 16.529 155 HG1 THR 30 HG1 THR 30 -10.819 7.972 15.478 156 HG21 THR 30 HG21 THR 30 -14.030 7.703 17.043 157 HG22 THR 30 HG22 THR 30 -14.159 7.327 15.325 158 HG23 THR 30 HG23 THR 30 -14.745 8.873 15.936 159 H GLY 13 H GLY 13 15.856 -5.907 12.356 160 HA2 GLY 13 HA2 GLY 13 14.597 -4.148 14.383 161 HA3 GLY 13 HA3 GLY 13 15.252 -3.597 12.848 162 H GLY 14 H GLY 14 12.480 -3.549 13.949 163 HA2 GLY 14 HA2 GLY 14 11.167 -4.309 11.525 164 HA3 GLY 14 HA3 GLY 14 10.785 -5.406 12.842 165 H GLU 15 H GLU 15 10.861 -1.910 12.089 166 HA GLU 15 HA GLU 15 8.760 -1.472 14.057 167 HB2 GLU 15 HB2 GLU 15 9.078 0.886 13.638 168 HB3 GLU 15 HB3 GLU 15 10.651 0.138 13.855 169 HG2 GLU 15 HG2 GLU 15 10.977 0.124 11.435 170 HG3 GLU 15 HG3 GLU 15 9.400 0.865 11.223 171 H ILE 16 H ILE 16 6.697 -0.686 13.525 172 HA ILE 16 HA ILE 16 5.884 -1.182 10.760 173 HB ILE 16 HB ILE 16 4.216 -0.750 13.238 174 HG12 ILE 16 HG12 ILE 16 4.712 -3.240 11.600 175 HG13 ILE 16 HG13 ILE 16 5.508 -2.874 13.127 176 HG21 ILE 16 HG21 ILE 16 3.385 -1.450 10.420 177 HG22 ILE 16 HG22 ILE 16 3.038 0.058 11.270 178 HG23 ILE 16 HG23 ILE 16 2.319 -1.455 11.826 179 HD11 ILE 16 HD11 ILE 16 2.564 -3.276 12.724 180 HD12 ILE 16 HD12 ILE 16 3.363 -2.919 14.257 181 HD13 ILE 16 HD13 ILE 16 3.693 -4.437 13.419 182 H VAL 17 H VAL 17 5.997 0.507 9.470 183 HA VAL 17 HA VAL 17 5.600 3.165 10.616 184 HB VAL 17 HB VAL 17 6.410 3.910 8.283 185 HG11 VAL 17 HG11 VAL 17 8.315 2.523 10.179 186 HG12 VAL 17 HG12 VAL 17 7.638 4.140 10.408 187 HG13 VAL 17 HG13 VAL 17 8.715 3.821 9.047 188 HG21 VAL 17 HG21 VAL 17 6.303 1.846 7.114 189 HG22 VAL 17 HG22 VAL 17 7.345 1.057 8.302 190 HG23 VAL 17 HG23 VAL 17 7.994 2.322 7.255 191 H TYR 18 H TYR 18 3.867 4.226 10.330 192 HA TYR 18 HA TYR 18 1.819 3.369 8.465 193 HB2 TYR 18 HB2 TYR 18 1.858 5.595 10.517 194 HB3 TYR 18 HB3 TYR 18 0.469 5.178 9.526 195 HD1 TYR 18 HD1 TYR 18 2.724 3.879 12.172 196 HD2 TYR 18 HD2 TYR 18 -1.022 3.492 10.200 197 HE1 TYR 18 HE1 TYR 18 1.979 2.305 13.905 198 HE2 TYR 18 HE2 TYR 18 -1.781 1.928 11.916 199 HH TYR 18 HH TYR 18 -0.112 1.474 14.855 200 H LEU 19 H LEU 19 2.006 4.092 6.395 201 HA LEU 19 HA LEU 19 2.795 6.893 6.014 202 HB2 LEU 19 HB2 LEU 19 2.485 4.685 3.993 203 HB3 LEU 19 HB3 LEU 19 3.004 6.300 3.634 204 HG LEU 19 HG LEU 19 4.920 5.056 3.612 205 HD11 LEU 19 HD11 LEU 19 5.075 7.065 4.897 206 HD12 LEU 19 HD12 LEU 19 6.184 5.835 5.515 207 HD13 LEU 19 HD13 LEU 19 4.671 6.171 6.358 208 HD21 LEU 19 HD21 LEU 19 5.583 3.428 5.315 209 HD22 LEU 19 HD22 LEU 19 4.053 2.983 4.555 210 HD23 LEU 19 HD23 LEU 19 4.061 3.707 6.163 211 HA PRO 20 HA PRO 20 -1.739 7.075 5.456 212 HB2 PRO 20 HB2 PRO 20 -1.845 9.413 7.067 213 HB3 PRO 20 HB3 PRO 20 -2.320 7.777 7.522 214 HG2 PRO 20 HG2 PRO 20 -0.190 9.183 8.611 215 HG3 PRO 20 HG3 PRO 20 -0.395 7.427 8.675 216 HD2 PRO 20 HD2 PRO 20 1.285 9.067 6.825 217 HD3 PRO 20 HD3 PRO 20 1.637 7.498 7.582 218 H ASN 21 H ASN 21 0.687 9.591 5.123 219 HA ASN 21 HA ASN 21 -1.213 11.370 3.812 220 HB2 ASN 21 HB2 ASN 21 0.636 12.044 5.551 221 HB3 ASN 21 HB3 ASN 21 1.685 12.033 4.143 222 HD21 ASN 21 HD21 ASN 21 2.035 14.240 4.290 223 HD22 ASN 21 HD22 ASN 21 0.825 15.392 3.835 224 H LEU 22 H LEU 22 0.338 8.816 2.750 225 HA LEU 22 HA LEU 22 1.743 9.812 0.473 226 HB2 LEU 22 HB2 LEU 22 0.646 7.077 1.103 227 HB3 LEU 22 HB3 LEU 22 1.570 7.442 -0.338 228 HG LEU 22 HG LEU 22 2.546 7.550 2.510 229 HD11 LEU 22 HD11 LEU 22 3.300 5.828 0.151 230 HD12 LEU 22 HD12 LEU 22 2.391 5.310 1.571 231 HD13 LEU 22 HD13 LEU 22 4.076 5.801 1.733 232 HD21 LEU 22 HD21 LEU 22 3.939 8.325 -0.036 233 HD22 LEU 22 HD22 LEU 22 4.729 8.064 1.527 234 HD23 LEU 22 HD23 LEU 22 3.553 9.368 1.337 235 H ASN 23 H ASN 23 1.121 9.615 -1.699 236 HA ASN 23 HA ASN 23 -1.728 10.050 -2.117 237 HB2 ASN 23 HB2 ASN 23 0.611 10.227 -4.036 238 HB3 ASN 23 HB3 ASN 23 -1.061 10.591 -4.459 239 HD21 ASN 23 HD21 ASN 23 1.258 12.322 -4.533 240 HD22 ASN 23 HD22 ASN 23 0.901 13.654 -3.488 241 HA PRO 24 HA PRO 24 -2.971 6.048 -3.413 242 HB2 PRO 24 HB2 PRO 24 -3.687 7.315 -6.026 243 HB3 PRO 24 HB3 PRO 24 -4.643 6.235 -5.004 244 HG2 PRO 24 HG2 PRO 24 -5.120 8.854 -5.023 245 HG3 PRO 24 HG3 PRO 24 -5.207 7.922 -3.518 246 HD2 PRO 24 HD2 PRO 24 -3.131 9.839 -4.439 247 HD3 PRO 24 HD3 PRO 24 -3.659 9.447 -2.791 248 H ASP 25 H ASP 25 -1.500 7.837 -6.131 249 HA ASP 25 HA ASP 25 -0.515 5.463 -7.367 250 HB2 ASP 25 HB2 ASP 25 0.110 8.375 -7.869 251 HB3 ASP 25 HB3 ASP 25 0.738 7.055 -8.849 252 H GLN 26 H GLN 26 0.736 7.607 -4.956 253 HA GLN 26 HA GLN 26 3.472 6.860 -5.286 254 HB2 GLN 26 HB2 GLN 26 1.984 8.195 -3.031 255 HB3 GLN 26 HB3 GLN 26 3.717 7.868 -2.982 256 HG2 GLN 26 HG2 GLN 26 2.454 9.394 -5.214 257 HG3 GLN 26 HG3 GLN 26 2.974 10.185 -3.730 258 HE21 GLN 26 HE21 GLN 26 4.559 11.400 -4.704 259 HE22 GLN 26 HE22 GLN 26 5.998 10.717 -5.377 260 H LEU 27 H LEU 27 0.769 5.643 -3.364 261 HA LEU 27 HA LEU 27 2.223 3.693 -1.948 262 HB2 LEU 27 HB2 LEU 27 -0.623 3.625 -2.975 263 HB3 LEU 27 HB3 LEU 27 0.066 2.419 -1.912 264 HG LEU 27 HG LEU 27 -0.185 5.338 -1.214 265 HD11 LEU 27 HD11 LEU 27 -1.864 3.030 -0.262 266 HD12 LEU 27 HD12 LEU 27 -2.353 4.157 -1.524 267 HD13 LEU 27 HD13 LEU 27 -2.074 4.741 0.117 268 HD21 LEU 27 HD21 LEU 27 1.611 4.187 -0.062 269 HD22 LEU 27 HD22 LEU 27 0.500 2.898 0.407 270 HD23 LEU 27 HD23 LEU 27 0.285 4.528 1.048 271 H CYS 28 H CYS 28 0.608 3.609 -5.095 272 HA CYS 28 HA CYS 28 1.349 1.064 -5.921 273 HB2 CYS 28 HB2 CYS 28 1.261 3.523 -7.681 274 HB3 CYS 28 HB3 CYS 28 1.008 1.854 -8.176 275 H ALA 29 H ALA 29 3.082 4.137 -6.239 276 HA ALA 29 HA ALA 29 5.331 3.212 -7.617 277 HB1 ALA 29 HB1 ALA 29 4.775 5.578 -7.402 278 HB2 ALA 29 HB2 ALA 29 6.416 5.269 -6.832 279 HB3 ALA 29 HB3 ALA 29 5.109 5.515 -5.672 280 H PHE 30 H PHE 30 4.767 3.569 -4.129 281 HA PHE 30 HA PHE 30 7.350 2.759 -3.330 282 HB2 PHE 30 HB2 PHE 30 6.298 3.943 -1.677 283 HB3 PHE 30 HB3 PHE 30 4.722 3.255 -2.034 284 HD1 PHE 30 HD1 PHE 30 8.024 2.314 -0.576 285 HD2 PHE 30 HD2 PHE 30 3.813 1.738 -0.610 286 HE1 PHE 30 HE1 PHE 30 8.216 0.829 1.377 287 HE2 PHE 30 HE2 PHE 30 3.994 0.251 1.346 288 HZ PHE 30 HZ PHE 30 6.201 -0.205 2.340 289 H ILE 31 H ILE 31 4.266 0.998 -3.527 290 HA ILE 31 HA ILE 31 5.307 -1.437 -2.535 291 HB ILE 31 HB ILE 31 2.838 -0.886 -4.172 292 HG12 ILE 31 HG12 ILE 31 3.037 -1.517 -1.230 293 HG13 ILE 31 HG13 ILE 31 3.172 0.131 -1.834 294 HG21 ILE 31 HG21 ILE 31 3.620 -3.391 -2.679 295 HG22 ILE 31 HG22 ILE 31 3.474 -3.221 -4.428 296 HG23 ILE 31 HG23 ILE 31 2.044 -3.085 -3.405 297 HD11 ILE 31 HD11 ILE 31 0.946 0.009 -2.755 298 HD12 ILE 31 HD12 ILE 31 0.924 -0.411 -1.041 299 HD13 ILE 31 HD13 ILE 31 0.813 -1.680 -2.260 300 H HIS 32 H HIS 32 4.913 -0.137 -5.749 301 HA HIS 32 HA HIS 32 5.648 -2.400 -7.238 302 HB2 HIS 32 HB2 HIS 32 4.696 -0.267 -8.176 303 HB3 HIS 32 HB3 HIS 32 6.263 0.488 -7.922 304 HD1 HIS 32 HD1 HIS 32 4.344 -1.398 -10.359 305 HD2 HIS 32 HD2 HIS 32 8.370 -0.740 -9.570 306 HE1 HIS 32 HE1 HIS 32 5.555 -2.048 -12.460 307 HE2 HIS 32 HE2 HIS 32 7.964 -1.461 -12.022 308 H SER 33 H SER 33 7.541 0.117 -5.668 309 HA SER 33 HA SER 33 10.045 -0.708 -6.717 310 HB2 SER 33 HB2 SER 33 9.424 0.954 -4.267 311 HB3 SER 33 HB3 SER 33 11.001 0.821 -5.047 312 HG SER 33 HG SER 33 8.638 2.041 -6.002 313 H ILE 34 H ILE 34 8.245 -1.522 -3.788 314 HA ILE 34 HA ILE 34 10.329 -2.968 -2.512 315 HB ILE 34 HB ILE 34 7.338 -3.352 -2.271 316 HG12 ILE 34 HG12 ILE 34 8.064 -1.075 -1.684 317 HG13 ILE 34 HG13 ILE 34 7.528 -1.956 -0.258 318 HG21 ILE 34 HG21 ILE 34 7.846 -4.422 -0.119 319 HG22 ILE 34 HG22 ILE 34 9.570 -4.270 -0.456 320 HG23 ILE 34 HG23 ILE 34 8.563 -5.300 -1.472 321 HD11 ILE 34 HD11 ILE 34 9.518 -0.650 0.209 322 HD12 ILE 34 HD12 ILE 34 10.389 -1.489 -1.074 323 HD13 ILE 34 HD13 ILE 34 9.854 -2.374 0.355 324 H HIS 35 H HIS 35 7.809 -3.852 -4.794 325 HA HIS 35 HA HIS 35 8.408 -6.657 -4.695 326 HB2 HIS 35 HB2 HIS 35 6.171 -5.505 -5.262 327 HB3 HIS 35 HB3 HIS 35 6.855 -5.280 -6.870 328 HD1 HIS 35 HD1 HIS 35 5.462 -7.882 -4.589 329 HD2 HIS 35 HD2 HIS 35 7.115 -7.637 -8.396 330 HE1 HIS 35 HE1 HIS 35 4.945 -10.079 -5.695 331 HE2 HIS 35 HE2 HIS 35 5.788 -9.829 -8.053 332 H ASP 36 H ASP 36 9.345 -3.925 -6.628 333 HA ASP 36 HA ASP 36 10.636 -5.445 -8.688 334 HB2 ASP 36 HB2 ASP 36 9.785 -3.186 -9.124 335 HB3 ASP 36 HB3 ASP 36 10.899 -2.526 -7.933 336 H ASP 37 H ASP 37 11.711 -3.612 -5.844 337 HA ASP 37 HA ASP 37 14.230 -5.125 -5.951 338 HB2 ASP 37 HB2 ASP 37 14.403 -2.661 -6.660 339 HB3 ASP 37 HB3 ASP 37 14.071 -2.274 -4.972 340 HA PRO 38 HA PRO 38 12.315 -5.780 -1.847 341 HB2 PRO 38 HB2 PRO 38 12.926 -8.361 -1.605 342 HB3 PRO 38 HB3 PRO 38 11.627 -7.828 -2.669 343 HG2 PRO 38 HG2 PRO 38 14.440 -8.565 -3.379 344 HG3 PRO 38 HG3 PRO 38 12.928 -9.065 -4.161 345 HD2 PRO 38 HD2 PRO 38 14.493 -7.029 -5.085 346 HD3 PRO 38 HD3 PRO 38 12.735 -7.093 -5.327 347 H SER 39 H SER 39 15.452 -5.979 -3.076 348 HA SER 39 HA SER 39 16.776 -6.665 -0.610 349 HB2 SER 39 HB2 SER 39 18.021 -5.477 -3.094 350 HB3 SER 39 HB3 SER 39 18.815 -6.433 -1.842 351 HG SER 39 HG SER 39 17.820 -8.244 -2.568 352 H GLN 40 H GLN 40 16.227 -3.738 -2.535 353 HA GLN 40 HA GLN 40 17.528 -2.074 -0.576 354 HB2 GLN 40 HB2 GLN 40 15.940 -1.325 -3.029 355 HB3 GLN 40 HB3 GLN 40 16.880 -0.222 -2.040 356 HG2 GLN 40 HG2 GLN 40 18.820 -1.830 -2.570 357 HG3 GLN 40 HG3 GLN 40 17.805 -2.334 -3.910 358 HE21 GLN 40 HE21 GLN 40 19.202 -1.514 -5.453 359 HE22 GLN 40 HE22 GLN 40 19.407 0.185 -5.714 360 H SER 41 H SER 41 14.590 -3.526 -0.608 361 HA SER 41 HA SER 41 12.565 -1.798 -0.339 362 HB2 SER 41 HB2 SER 41 11.636 -3.393 1.428 363 HB3 SER 41 HB3 SER 41 12.083 -4.087 -0.131 364 HG SER 41 HG SER 41 13.475 -5.290 0.863 365 H ALA 42 H ALA 42 14.959 -2.357 2.232 366 HA ALA 42 HA ALA 42 13.827 -0.895 4.303 367 HB1 ALA 42 HB1 ALA 42 15.883 -2.215 4.510 368 HB2 ALA 42 HB2 ALA 42 16.090 -0.577 5.132 369 HB3 ALA 42 HB3 ALA 42 16.741 -1.008 3.550 370 H ASN 43 H ASN 43 15.740 0.244 1.580 371 HA ASN 43 HA ASN 43 15.665 2.996 2.425 372 HB2 ASN 43 HB2 ASN 43 17.576 2.107 1.143 373 HB3 ASN 43 HB3 ASN 43 16.511 1.780 -0.218 374 HD21 ASN 43 HD21 ASN 43 16.364 4.641 1.827 375 HD22 ASN 43 HD22 ASN 43 16.833 5.759 0.595 376 H LEU 44 H LEU 44 13.914 0.923 0.180 377 HA LEU 44 HA LEU 44 12.534 2.981 -1.158 378 HB2 LEU 44 HB2 LEU 44 12.023 0.057 -0.827 379 HB3 LEU 44 HB3 LEU 44 10.807 1.078 -1.564 380 HG LEU 44 HG LEU 44 11.896 0.318 -3.423 381 HD11 LEU 44 HD11 LEU 44 13.644 2.665 -2.748 382 HD12 LEU 44 HD12 LEU 44 11.988 2.792 -3.345 383 HD13 LEU 44 HD13 LEU 44 13.238 2.054 -4.352 384 HD21 LEU 44 HD21 LEU 44 14.506 0.430 -1.924 385 HD22 LEU 44 HD22 LEU 44 14.313 -0.062 -3.606 386 HD23 LEU 44 HD23 LEU 44 13.574 -1.014 -2.320 387 H LEU 45 H LEU 45 11.722 1.180 1.821 388 HA LEU 45 HA LEU 45 9.192 2.601 1.950 389 HB2 LEU 45 HB2 LEU 45 8.547 1.212 3.621 390 HB3 LEU 45 HB3 LEU 45 9.768 0.197 2.885 391 HG LEU 45 HG LEU 45 10.563 1.967 5.153 392 HD11 LEU 45 HD11 LEU 45 8.481 0.874 5.879 393 HD12 LEU 45 HD12 LEU 45 9.888 0.268 6.754 394 HD13 LEU 45 HD13 LEU 45 9.172 -0.694 5.458 395 HD21 LEU 45 HD21 LEU 45 11.361 -0.811 4.307 396 HD22 LEU 45 HD22 LEU 45 12.080 0.128 5.616 397 HD23 LEU 45 HD23 LEU 45 12.248 0.671 3.947 398 H ALA 46 H ALA 46 12.409 3.050 2.972 399 HA ALA 46 HA ALA 46 12.093 4.952 5.009 400 HB1 ALA 46 HB1 ALA 46 14.270 3.986 4.313 401 HB2 ALA 46 HB2 ALA 46 14.298 5.749 4.380 402 HB3 ALA 46 HB3 ALA 46 14.175 4.929 2.818 403 H GLU 47 H GLU 47 12.161 5.206 1.515 404 HA GLU 47 HA GLU 47 11.853 7.955 1.205 405 HB2 GLU 47 HB2 GLU 47 10.719 5.757 -0.533 406 HB3 GLU 47 HB3 GLU 47 11.001 7.428 -1.018 407 HG2 GLU 47 HG2 GLU 47 13.147 5.553 -0.096 408 HG3 GLU 47 HG3 GLU 47 12.706 5.818 -1.789 409 H ALA 48 H ALA 48 9.418 5.395 1.371 410 HA ALA 48 HA ALA 48 7.126 6.891 1.034 411 HB1 ALA 48 HB1 ALA 48 5.924 5.127 2.100 412 HB2 ALA 48 HB2 ALA 48 7.366 4.599 2.970 413 HB3 ALA 48 HB3 ALA 48 7.274 4.406 1.218 414 H LYS 49 H LYS 49 8.981 6.386 4.004 415 HA LYS 49 HA LYS 49 7.253 7.796 5.741 416 HB2 LYS 49 HB2 LYS 49 10.093 6.897 5.845 417 HB3 LYS 49 HB3 LYS 49 9.547 8.070 7.031 418 HG2 LYS 49 HG2 LYS 49 7.925 5.608 6.648 419 HG3 LYS 49 HG3 LYS 49 9.469 5.477 7.488 420 HD2 LYS 49 HD2 LYS 49 7.930 5.859 9.207 421 HD3 LYS 49 HD3 LYS 49 8.645 7.442 8.920 422 HE2 LYS 49 HE2 LYS 49 6.704 8.050 7.545 423 HE3 LYS 49 HE3 LYS 49 5.998 6.467 7.865 424 HZ1 LYS 49 HZ1 LYS 49 5.033 8.064 9.335 425 HZ2 LYS 49 HZ2 LYS 49 6.550 8.599 9.852 426 HZ3 LYS 49 HZ3 LYS 49 6.025 7.045 10.251 427 H LYS 50 H LYS 50 9.748 8.836 3.544 428 HA LYS 50 HA LYS 50 9.810 11.516 4.651 429 HB2 LYS 50 HB2 LYS 50 11.151 10.277 2.256 430 HB3 LYS 50 HB3 LYS 50 11.457 11.911 2.837 431 HG2 LYS 50 HG2 LYS 50 12.043 9.329 4.278 432 HG3 LYS 50 HG3 LYS 50 13.218 10.431 3.562 433 HD2 LYS 50 HD2 LYS 50 11.359 11.138 5.832 434 HD3 LYS 50 HD3 LYS 50 13.036 10.635 6.030 435 HE2 LYS 50 HE2 LYS 50 12.103 13.057 4.496 436 HE3 LYS 50 HE3 LYS 50 12.775 13.077 6.125 437 HZ1 LYS 50 HZ1 LYS 50 14.450 13.639 4.497 438 HZ2 LYS 50 HZ2 LYS 50 14.191 12.189 3.669 439 HZ3 LYS 50 HZ3 LYS 50 14.839 12.166 5.231 440 H LEU 51 H LEU 51 8.310 9.716 2.133 441 HA LEU 51 HA LEU 51 7.481 11.813 0.458 442 HB2 LEU 51 HB2 LEU 51 6.924 8.974 0.834 443 HB3 LEU 51 HB3 LEU 51 5.537 9.869 0.277 444 HG LEU 51 HG LEU 51 6.939 10.699 -1.622 445 HD11 LEU 51 HD11 LEU 51 8.984 9.515 -2.189 446 HD12 LEU 51 HD12 LEU 51 8.869 8.559 -0.712 447 HD13 LEU 51 HD13 LEU 51 9.153 10.298 -0.618 448 HD21 LEU 51 HD21 LEU 51 6.538 7.727 -1.382 449 HD22 LEU 51 HD22 LEU 51 6.780 8.609 -2.890 450 HD23 LEU 51 HD23 LEU 51 5.340 8.908 -1.916 451 H ASN 52 H ASN 52 5.655 10.029 2.993 452 HA ASN 52 HA ASN 52 3.412 11.733 2.988 453 HB2 ASN 52 HB2 ASN 52 2.762 10.699 5.049 454 HB3 ASN 52 HB3 ASN 52 3.526 9.458 4.065 455 HD21 ASN 52 HD21 ASN 52 3.777 11.421 6.919 456 HD22 ASN 52 HD22 ASN 52 5.114 10.580 7.623 457 H ASP 53 H ASP 53 6.540 12.062 4.420 458 HA ASP 53 HA ASP 53 5.852 14.112 6.294 459 HB2 ASP 53 HB2 ASP 53 7.792 12.727 6.706 460 HB3 ASP 53 HB3 ASP 53 8.507 13.204 5.171 461 H ALA 54 H ALA 54 7.322 14.062 3.070 462 HA ALA 54 HA ALA 54 7.802 16.863 2.979 463 HB1 ALA 54 HB1 ALA 54 9.078 15.270 1.629 464 HB2 ALA 54 HB2 ALA 54 8.326 16.514 0.633 465 HB3 ALA 54 HB3 ALA 54 7.625 14.898 0.702 466 H GLN 55 H GLN 55 5.052 14.874 2.236 467 HA GLN 55 HA GLN 55 3.742 16.976 0.744 468 HB2 GLN 55 HB2 GLN 55 2.624 14.352 1.729 469 HB3 GLN 55 HB3 GLN 55 1.846 15.443 0.592 470 HG2 GLN 55 HG2 GLN 55 3.702 15.071 -0.987 471 HG3 GLN 55 HG3 GLN 55 4.396 13.910 0.147 472 HE21 GLN 55 HE21 GLN 55 0.980 14.327 -0.397 473 HE22 GLN 55 HE22 GLN 55 0.712 12.803 -1.161 474 H ALA 56 H ALA 56 4.395 16.624 3.842 475 HA ALA 56 HA ALA 56 1.826 17.557 4.859 476 HB1 ALA 56 HB1 ALA 56 4.337 16.496 6.075 477 HB2 ALA 56 HB2 ALA 56 2.686 15.887 6.235 478 HB3 ALA 56 HB3 ALA 56 3.164 17.373 7.062 479 H GLY 13 H GLY 13 -13.105 0.174 11.311 480 HA2 GLY 13 HA2 GLY 13 -12.860 2.406 10.448 481 HA3 GLY 13 HA3 GLY 13 -14.004 2.982 11.651 482 H GLY 14 H GLY 14 -10.960 1.165 11.398 483 HA2 GLY 14 HA2 GLY 14 -9.127 2.546 12.604 484 HA3 GLY 14 HA3 GLY 14 -10.156 2.280 14.006 485 H GLU 15 H GLU 15 -10.214 -0.276 11.799 486 HA GLU 15 HA GLU 15 -8.559 -1.905 13.529 487 HB2 GLU 15 HB2 GLU 15 -9.339 -3.765 12.055 488 HB3 GLU 15 HB3 GLU 15 -10.607 -2.900 12.880 489 HG2 GLU 15 HG2 GLU 15 -9.845 -2.264 10.083 490 HG3 GLU 15 HG3 GLU 15 -10.970 -3.561 10.448 491 H ILE 16 H ILE 16 -6.927 -3.251 12.726 492 HA ILE 16 HA ILE 16 -5.392 -1.993 10.556 493 HB ILE 16 HB ILE 16 -4.398 -3.999 12.585 494 HG12 ILE 16 HG12 ILE 16 -4.416 -0.987 12.602 495 HG13 ILE 16 HG13 ILE 16 -5.021 -2.081 13.836 496 HG21 ILE 16 HG21 ILE 16 -2.180 -3.233 11.869 497 HG22 ILE 16 HG22 ILE 16 -2.935 -2.160 10.690 498 HG23 ILE 16 HG23 ILE 16 -3.098 -3.908 10.522 499 HD11 ILE 16 HD11 ILE 16 -2.740 -2.751 14.361 500 HD12 ILE 16 HD12 ILE 16 -2.966 -1.011 14.537 501 HD13 ILE 16 HD13 ILE 16 -2.133 -1.654 13.120 502 H VAL 17 H VAL 17 -5.103 -3.042 8.659 503 HA VAL 17 HA VAL 17 -5.980 -5.856 8.557 504 HB VAL 17 HB VAL 17 -6.913 -3.637 6.728 505 HG11 VAL 17 HG11 VAL 17 -7.497 -6.581 6.694 506 HG12 VAL 17 HG12 VAL 17 -6.653 -5.633 5.469 507 HG13 VAL 17 HG13 VAL 17 -8.372 -5.370 5.754 508 HG21 VAL 17 HG21 VAL 17 -8.048 -3.522 8.826 509 HG22 VAL 17 HG22 VAL 17 -8.401 -5.249 8.774 510 HG23 VAL 17 HG23 VAL 17 -9.140 -4.160 7.600 511 H TYR 18 H TYR 18 -3.971 -6.697 8.109 512 HA TYR 18 HA TYR 18 -2.211 -5.432 6.199 513 HB2 TYR 18 HB2 TYR 18 -2.022 -7.693 8.106 514 HB3 TYR 18 HB3 TYR 18 -0.988 -7.777 6.685 515 HD1 TYR 18 HD1 TYR 18 -1.898 -5.535 9.520 516 HD2 TYR 18 HD2 TYR 18 1.029 -6.632 6.637 517 HE1 TYR 18 HE1 TYR 18 -0.275 -4.035 10.601 518 HE2 TYR 18 HE2 TYR 18 2.658 -5.141 7.712 519 HH TYR 18 HH TYR 18 2.237 -3.858 10.766 520 H LEU 19 H LEU 19 -1.923 -5.932 4.114 521 HA LEU 19 HA LEU 19 -2.923 -8.492 3.106 522 HB2 LEU 19 HB2 LEU 19 -3.509 -5.767 1.964 523 HB3 LEU 19 HB3 LEU 19 -3.599 -7.214 0.987 524 HG LEU 19 HG LEU 19 -5.253 -8.071 2.766 525 HD11 LEU 19 HD11 LEU 19 -5.257 -5.124 3.338 526 HD12 LEU 19 HD12 LEU 19 -4.933 -6.440 4.471 527 HD13 LEU 19 HD13 LEU 19 -6.546 -6.237 3.788 528 HD21 LEU 19 HD21 LEU 19 -7.087 -6.934 1.640 529 HD22 LEU 19 HD22 LEU 19 -5.856 -7.504 0.505 530 HD23 LEU 19 HD23 LEU 19 -5.934 -5.791 0.944 531 HA PRO 20 HA PRO 20 1.290 -7.590 1.442 532 HB2 PRO 20 HB2 PRO 20 2.683 -9.526 2.648 533 HB3 PRO 20 HB3 PRO 20 2.280 -8.026 3.491 534 HG2 PRO 20 HG2 PRO 20 1.067 -10.732 3.752 535 HG3 PRO 20 HG3 PRO 20 1.328 -9.492 4.990 536 HD2 PRO 20 HD2 PRO 20 -1.081 -10.014 3.640 537 HD3 PRO 20 HD3 PRO 20 -0.716 -8.582 4.620 538 H ASN 21 H ASN 21 -1.063 -9.768 1.010 539 HA ASN 21 HA ASN 21 0.476 -11.680 -0.586 540 HB2 ASN 21 HB2 ASN 21 -1.280 -12.489 0.994 541 HB3 ASN 21 HB3 ASN 21 -2.486 -11.634 0.041 542 HD21 ASN 21 HD21 ASN 21 -0.358 -14.348 0.199 543 HD22 ASN 21 HD22 ASN 21 -1.018 -15.207 -1.149 544 H LEU 22 H LEU 22 -1.477 -8.889 -0.897 545 HA LEU 22 HA LEU 22 -2.538 -9.271 -3.475 546 HB2 LEU 22 HB2 LEU 22 -1.917 -6.794 -1.907 547 HB3 LEU 22 HB3 LEU 22 -2.694 -6.760 -3.475 548 HG LEU 22 HG LEU 22 -3.815 -8.091 -1.004 549 HD11 LEU 22 HD11 LEU 22 -5.311 -6.259 -0.884 550 HD12 LEU 22 HD12 LEU 22 -4.741 -5.598 -2.410 551 HD13 LEU 22 HD13 LEU 22 -3.690 -5.584 -0.991 552 HD21 LEU 22 HD21 LEU 22 -5.880 -8.205 -2.354 553 HD22 LEU 22 HD22 LEU 22 -4.578 -9.220 -2.980 554 HD23 LEU 22 HD23 LEU 22 -4.957 -7.687 -3.768 555 H ASN 23 H ASN 23 -1.903 -8.550 -5.465 556 HA ASN 23 HA ASN 23 0.945 -8.179 -5.884 557 HB2 ASN 23 HB2 ASN 23 -1.091 -7.875 -8.068 558 HB3 ASN 23 HB3 ASN 23 0.539 -8.529 -8.156 559 HD21 ASN 23 HD21 ASN 23 -2.106 -9.517 -9.034 560 HD22 ASN 23 HD22 ASN 23 -2.277 -11.088 -8.341 561 HA PRO 24 HA PRO 24 1.178 -3.784 -5.801 562 HB2 PRO 24 HB2 PRO 24 2.234 -4.050 -8.591 563 HB3 PRO 24 HB3 PRO 24 2.853 -3.086 -7.244 564 HG2 PRO 24 HG2 PRO 24 4.014 -5.384 -7.852 565 HG3 PRO 24 HG3 PRO 24 3.747 -4.944 -6.155 566 HD2 PRO 24 HD2 PRO 24 2.301 -6.924 -7.848 567 HD3 PRO 24 HD3 PRO 24 2.649 -6.962 -6.109 568 H ASP 25 H ASP 25 0.231 -4.832 -9.111 569 HA ASP 25 HA ASP 25 -1.266 -2.477 -9.619 570 HB2 ASP 25 HB2 ASP 25 -0.357 -3.955 -11.407 571 HB3 ASP 25 HB3 ASP 25 -1.555 -5.170 -10.970 572 H GLN 26 H GLN 26 -2.213 -5.743 -8.674 573 HA GLN 26 HA GLN 26 -4.945 -5.522 -8.631 574 HB2 GLN 26 HB2 GLN 26 -2.980 -7.122 -7.032 575 HB3 GLN 26 HB3 GLN 26 -4.695 -7.207 -6.638 576 HG2 GLN 26 HG2 GLN 26 -3.929 -9.019 -8.122 577 HG3 GLN 26 HG3 GLN 26 -5.208 -8.053 -8.817 578 HE21 GLN 26 HE21 GLN 26 -4.787 -8.512 -10.914 579 HE22 GLN 26 HE22 GLN 26 -3.354 -8.001 -11.736 580 H LEU 27 H LEU 27 -2.717 -4.793 -5.917 581 HA LEU 27 HA LEU 27 -4.893 -3.882 -4.290 582 HB2 LEU 27 HB2 LEU 27 -3.107 -3.120 -2.720 583 HB3 LEU 27 HB3 LEU 27 -3.073 -4.821 -3.116 584 HG LEU 27 HG LEU 27 -1.258 -4.137 -4.845 585 HD11 LEU 27 HD11 LEU 27 -1.556 -1.737 -4.652 586 HD12 LEU 27 HD12 LEU 27 0.071 -2.214 -4.172 587 HD13 LEU 27 HD13 LEU 27 -1.128 -1.812 -2.942 588 HD21 LEU 27 HD21 LEU 27 -0.713 -4.126 -1.871 589 HD22 LEU 27 HD22 LEU 27 0.476 -4.423 -3.142 590 HD23 LEU 27 HD23 LEU 27 -0.859 -5.554 -2.906 591 H CYS 28 H CYS 28 -2.754 -2.416 -6.563 592 HA CYS 28 HA CYS 28 -2.949 0.267 -5.757 593 HB2 CYS 28 HB2 CYS 28 -1.320 -0.550 -7.422 594 HB3 CYS 28 HB3 CYS 28 -2.634 -0.845 -8.554 595 H ALA 29 H ALA 29 -5.004 -1.754 -7.771 596 HA ALA 29 HA ALA 29 -6.745 0.166 -8.779 597 HB1 ALA 29 HB1 ALA 29 -8.343 -1.647 -9.057 598 HB2 ALA 29 HB2 ALA 29 -7.413 -2.656 -7.950 599 HB3 ALA 29 HB3 ALA 29 -6.722 -2.181 -9.500 600 H PHE 30 H PHE 30 -6.938 -1.685 -5.761 601 HA PHE 30 HA PHE 30 -9.378 -0.518 -4.913 602 HB2 PHE 30 HB2 PHE 30 -7.258 -1.870 -3.232 603 HB3 PHE 30 HB3 PHE 30 -8.935 -1.592 -2.769 604 HD1 PHE 30 HD1 PHE 30 -10.573 -2.435 -4.850 605 HD2 PHE 30 HD2 PHE 30 -6.821 -4.065 -3.688 606 HE1 PHE 30 HE1 PHE 30 -11.200 -4.585 -5.860 607 HE2 PHE 30 HE2 PHE 30 -7.442 -6.220 -4.695 608 HZ PHE 30 HZ PHE 30 -9.636 -6.481 -5.785 609 H ILE 31 H ILE 31 -5.985 0.229 -4.318 610 HA ILE 31 HA ILE 31 -6.312 2.237 -2.403 611 HB ILE 31 HB ILE 31 -4.245 1.947 -4.583 612 HG12 ILE 31 HG12 ILE 31 -4.172 1.392 -1.605 613 HG13 ILE 31 HG13 ILE 31 -4.249 0.175 -2.889 614 HG21 ILE 31 HG21 ILE 31 -4.249 3.865 -2.258 615 HG22 ILE 31 HG22 ILE 31 -4.414 4.293 -3.960 616 HG23 ILE 31 HG23 ILE 31 -2.906 3.594 -3.370 617 HD11 ILE 31 HD11 ILE 31 -2.007 0.318 -2.065 618 HD12 ILE 31 HD12 ILE 31 -1.978 2.066 -2.306 619 HD13 ILE 31 HD13 ILE 31 -2.053 0.982 -3.699 620 H HIS 32 H HIS 32 -6.249 2.465 -5.951 621 HA HIS 32 HA HIS 32 -6.819 5.211 -6.138 622 HB2 HIS 32 HB2 HIS 32 -7.395 2.917 -8.010 623 HB3 HIS 32 HB3 HIS 32 -7.817 4.578 -8.405 624 HD1 HIS 32 HD1 HIS 32 -5.593 2.565 -9.731 625 HD2 HIS 32 HD2 HIS 32 -4.966 5.951 -7.404 626 HE1 HIS 32 HE1 HIS 32 -3.305 3.395 -10.348 627 HE2 HIS 32 HE2 HIS 32 -3.028 5.552 -9.080 628 H SER 33 H SER 33 -8.929 2.397 -5.889 629 HA SER 33 HA SER 33 -11.375 3.705 -6.287 630 HB2 SER 33 HB2 SER 33 -10.814 1.238 -4.629 631 HB3 SER 33 HB3 SER 33 -12.391 1.731 -5.248 632 HG SER 33 HG SER 33 -10.409 1.579 -7.159 633 H ILE 34 H ILE 34 -9.385 3.361 -3.402 634 HA ILE 34 HA ILE 34 -11.310 4.234 -1.522 635 HB ILE 34 HB ILE 34 -8.307 4.583 -1.394 636 HG12 ILE 34 HG12 ILE 34 -8.927 2.232 -1.656 637 HG13 ILE 34 HG13 ILE 34 -8.330 2.532 -0.028 638 HG21 ILE 34 HG21 ILE 34 -9.482 6.042 0.166 639 HG22 ILE 34 HG22 ILE 34 -8.633 4.758 1.028 640 HG23 ILE 34 HG23 ILE 34 -10.380 4.662 0.799 641 HD11 ILE 34 HD11 ILE 34 -10.602 2.550 0.817 642 HD12 ILE 34 HD12 ILE 34 -10.266 1.046 -0.041 643 HD13 ILE 34 HD13 ILE 34 -11.226 2.308 -0.814 644 H HIS 35 H HIS 35 -9.081 5.930 -3.621 645 HA HIS 35 HA HIS 35 -9.685 8.513 -2.486 646 HB2 HIS 35 HB2 HIS 35 -7.480 8.028 -3.496 647 HB3 HIS 35 HB3 HIS 35 -8.251 7.830 -5.060 648 HD1 HIS 35 HD1 HIS 35 -8.100 9.845 -6.485 649 HD2 HIS 35 HD2 HIS 35 -8.073 10.808 -2.439 650 HE1 HIS 35 HE1 HIS 35 -7.839 12.345 -6.384 651 HE2 HIS 35 HE2 HIS 35 -7.714 12.891 -3.928 652 H ASP 36 H ASP 36 -10.685 6.601 -5.245 653 HA ASP 36 HA ASP 36 -12.237 8.638 -6.476 654 HB2 ASP 36 HB2 ASP 36 -11.888 5.716 -6.848 655 HB3 ASP 36 HB3 ASP 36 -13.367 6.429 -7.477 656 H ASP 37 H ASP 37 -12.882 6.282 -4.020 657 HA ASP 37 HA ASP 37 -15.428 7.524 -3.428 658 HB2 ASP 37 HB2 ASP 37 -15.792 5.616 -5.150 659 HB3 ASP 37 HB3 ASP 37 -15.439 4.533 -3.803 660 HA PRO 38 HA PRO 38 -12.868 6.182 0.220 661 HB2 PRO 38 HB2 PRO 38 -13.445 8.413 1.679 662 HB3 PRO 38 HB3 PRO 38 -12.093 8.308 0.552 663 HG2 PRO 38 HG2 PRO 38 -14.820 9.481 0.121 664 HG3 PRO 38 HG3 PRO 38 -13.235 10.143 -0.330 665 HD2 PRO 38 HD2 PRO 38 -14.781 8.916 -2.140 666 HD3 PRO 38 HD3 PRO 38 -13.019 8.713 -2.150 667 H SER 39 H SER 39 -16.172 7.056 -0.269 668 HA SER 39 HA SER 39 -17.164 6.569 2.328 669 HB2 SER 39 HB2 SER 39 -18.593 6.165 -0.310 670 HB3 SER 39 HB3 SER 39 -19.347 6.411 1.265 671 HG SER 39 HG SER 39 -18.238 8.239 -0.476 672 H GLN 40 H GLN 40 -16.477 4.516 -0.430 673 HA GLN 40 HA GLN 40 -17.497 2.133 0.849 674 HB2 GLN 40 HB2 GLN 40 -15.935 2.445 -1.711 675 HB3 GLN 40 HB3 GLN 40 -16.866 1.038 -1.210 676 HG2 GLN 40 HG2 GLN 40 -18.115 3.725 -1.572 677 HG3 GLN 40 HG3 GLN 40 -17.909 2.605 -2.904 678 HE21 GLN 40 HE21 GLN 40 -20.110 2.355 -3.212 679 HE22 GLN 40 HE22 GLN 40 -21.112 1.488 -2.100 680 H SER 41 H SER 41 -14.836 3.851 1.443 681 HA SER 41 HA SER 41 -12.531 2.588 0.986 682 HB2 SER 41 HB2 SER 41 -12.737 4.636 2.338 683 HB3 SER 41 HB3 SER 41 -13.307 3.673 3.699 684 HG SER 41 HG SER 41 -10.924 2.831 2.594 685 H ALA 42 H ALA 42 -14.334 1.767 3.983 686 HA ALA 42 HA ALA 42 -12.819 -0.414 4.715 687 HB1 ALA 42 HB1 ALA 42 -14.663 -1.051 6.125 688 HB2 ALA 42 HB2 ALA 42 -15.774 -0.074 5.164 689 HB3 ALA 42 HB3 ALA 42 -14.504 0.707 6.118 690 H ASN 43 H ASN 43 -15.681 -0.362 2.622 691 HA ASN 43 HA ASN 43 -15.810 -3.193 2.340 692 HB2 ASN 43 HB2 ASN 43 -17.733 -1.694 1.971 693 HB3 ASN 43 HB3 ASN 43 -16.948 -1.060 0.530 694 HD21 ASN 43 HD21 ASN 43 -18.505 -1.733 -0.894 695 HD22 ASN 43 HD22 ASN 43 -18.802 -3.398 -1.249 696 H LEU 44 H LEU 44 -14.164 -0.632 0.590 697 HA LEU 44 HA LEU 44 -13.278 -2.316 -1.557 698 HB2 LEU 44 HB2 LEU 44 -12.644 0.431 -0.575 699 HB3 LEU 44 HB3 LEU 44 -11.512 -0.343 -1.662 700 HG LEU 44 HG LEU 44 -12.896 -0.150 -3.476 701 HD11 LEU 44 HD11 LEU 44 -15.377 0.080 -3.321 702 HD12 LEU 44 HD12 LEU 44 -15.240 -0.230 -1.589 703 HD13 LEU 44 HD13 LEU 44 -14.745 -1.466 -2.749 704 HD21 LEU 44 HD21 LEU 44 -13.888 2.042 -1.663 705 HD22 LEU 44 HD22 LEU 44 -14.051 2.014 -3.418 706 HD23 LEU 44 HD23 LEU 44 -12.450 2.094 -2.683 707 H LEU 45 H LEU 45 -12.364 -1.759 1.687 708 HA LEU 45 HA LEU 45 -9.697 -2.777 1.481 709 HB2 LEU 45 HB2 LEU 45 -10.215 -1.165 3.214 710 HB3 LEU 45 HB3 LEU 45 -11.595 -2.085 3.710 711 HG LEU 45 HG LEU 45 -9.559 -2.082 5.225 712 HD11 LEU 45 HD11 LEU 45 -11.543 -3.992 4.511 713 HD12 LEU 45 HD12 LEU 45 -10.844 -3.659 6.107 714 HD13 LEU 45 HD13 LEU 45 -10.085 -4.844 5.040 715 HD21 LEU 45 HD21 LEU 45 -7.886 -3.749 4.698 716 HD22 LEU 45 HD22 LEU 45 -7.953 -2.529 3.428 717 HD23 LEU 45 HD23 LEU 45 -8.700 -4.102 3.177 718 H ALA 46 H ALA 46 -12.887 -3.842 2.530 719 HA ALA 46 HA ALA 46 -12.332 -6.513 3.151 720 HB1 ALA 46 HB1 ALA 46 -14.742 -6.890 2.759 721 HB2 ALA 46 HB2 ALA 46 -14.857 -5.287 2.027 722 HB3 ALA 46 HB3 ALA 46 -14.439 -5.452 3.733 723 H GLU 47 H GLU 47 -13.211 -4.973 0.107 724 HA GLU 47 HA GLU 47 -13.396 -7.188 -1.556 725 HB2 GLU 47 HB2 GLU 47 -13.991 -4.878 -2.193 726 HB3 GLU 47 HB3 GLU 47 -12.288 -4.447 -2.198 727 HG2 GLU 47 HG2 GLU 47 -13.023 -4.777 -4.442 728 HG3 GLU 47 HG3 GLU 47 -11.914 -6.078 -4.001 729 H ALA 48 H ALA 48 -10.552 -5.171 -0.863 730 HA ALA 48 HA ALA 48 -8.691 -6.705 -2.290 731 HB1 ALA 48 HB1 ALA 48 -8.178 -4.452 -1.559 732 HB2 ALA 48 HB2 ALA 48 -6.982 -5.583 -0.918 733 HB3 ALA 48 HB3 ALA 48 -8.256 -4.958 0.129 734 H LYS 49 H LYS 49 -9.722 -6.867 1.113 735 HA LYS 49 HA LYS 49 -7.906 -8.787 1.988 736 HB2 LYS 49 HB2 LYS 49 -10.307 -7.564 2.979 737 HB3 LYS 49 HB3 LYS 49 -10.333 -9.287 3.336 738 HG2 LYS 49 HG2 LYS 49 -8.169 -7.337 4.070 739 HG3 LYS 49 HG3 LYS 49 -9.366 -8.032 5.161 740 HD2 LYS 49 HD2 LYS 49 -8.451 -10.291 4.602 741 HD3 LYS 49 HD3 LYS 49 -7.169 -9.490 3.692 742 HE2 LYS 49 HE2 LYS 49 -6.349 -10.047 5.885 743 HE3 LYS 49 HE3 LYS 49 -6.507 -8.296 5.755 744 HZ1 LYS 49 HZ1 LYS 49 -8.448 -10.117 7.075 745 HZ2 LYS 49 HZ2 LYS 49 -8.608 -8.439 6.951 746 HZ3 LYS 49 HZ3 LYS 49 -7.354 -9.101 7.866 747 H LYS 50 H LYS 50 -10.924 -9.156 0.257 748 HA LYS 50 HA LYS 50 -11.201 -11.939 0.430 749 HB2 LYS 50 HB2 LYS 50 -12.930 -10.425 -0.456 750 HB3 LYS 50 HB3 LYS 50 -11.920 -10.091 -1.854 751 HG2 LYS 50 HG2 LYS 50 -12.091 -12.414 -2.550 752 HG3 LYS 50 HG3 LYS 50 -13.074 -12.773 -1.130 753 HD2 LYS 50 HD2 LYS 50 -14.738 -11.121 -1.919 754 HD3 LYS 50 HD3 LYS 50 -13.774 -10.895 -3.380 755 HE2 LYS 50 HE2 LYS 50 -14.043 -13.286 -3.894 756 HE3 LYS 50 HE3 LYS 50 -15.053 -13.464 -2.461 757 HZ1 LYS 50 HZ1 LYS 50 -16.610 -11.869 -3.425 758 HZ2 LYS 50 HZ2 LYS 50 -16.407 -13.218 -4.422 759 HZ3 LYS 50 HZ3 LYS 50 -15.652 -11.759 -4.815 760 H LEU 51 H LEU 51 -9.395 -9.904 -1.826 761 HA LEU 51 HA LEU 51 -8.381 -12.007 -3.439 762 HB2 LEU 51 HB2 LEU 51 -8.114 -9.143 -3.200 763 HB3 LEU 51 HB3 LEU 51 -6.557 -9.889 -3.493 764 HG LEU 51 HG LEU 51 -8.975 -10.343 -5.232 765 HD11 LEU 51 HD11 LEU 51 -8.424 -8.025 -5.335 766 HD12 LEU 51 HD12 LEU 51 -7.788 -8.796 -6.791 767 HD13 LEU 51 HD13 LEU 51 -6.699 -8.384 -5.459 768 HD21 LEU 51 HD21 LEU 51 -6.036 -10.904 -5.638 769 HD22 LEU 51 HD22 LEU 51 -7.312 -11.179 -6.823 770 HD23 LEU 51 HD23 LEU 51 -7.285 -12.110 -5.325 771 H ASN 52 H ASN 52 -6.991 -10.155 -0.740 772 HA ASN 52 HA ASN 52 -4.509 -11.396 -0.596 773 HB2 ASN 52 HB2 ASN 52 -5.095 -9.388 0.680 774 HB3 ASN 52 HB3 ASN 52 -6.203 -10.320 1.677 775 HD21 ASN 52 HD21 ASN 52 -5.377 -11.665 3.277 776 HD22 ASN 52 HD22 ASN 52 -3.725 -11.589 3.779 777 H ASP 53 H ASP 53 -7.622 -12.446 0.664 778 HA ASP 53 HA ASP 53 -6.511 -14.634 2.161 779 HB2 ASP 53 HB2 ASP 53 -8.572 -13.554 2.906 780 HB3 ASP 53 HB3 ASP 53 -9.373 -14.011 1.408 781 H ALA 54 H ALA 54 -7.573 -14.142 -1.070 782 HA ALA 54 HA ALA 54 -8.382 -16.721 -1.785 783 HB1 ALA 54 HB1 ALA 54 -8.114 -16.005 -4.045 784 HB2 ALA 54 HB2 ALA 54 -6.993 -14.734 -3.559 785 HB3 ALA 54 HB3 ALA 54 -8.692 -14.628 -3.105 786 H GLN 55 H GLN 55 -5.222 -15.164 -2.342 787 HA GLN 55 HA GLN 55 -4.078 -17.788 -2.939 788 HB2 GLN 55 HB2 GLN 55 -2.926 -15.009 -3.251 789 HB3 GLN 55 HB3 GLN 55 -2.109 -16.494 -3.715 790 HG2 GLN 55 HG2 GLN 55 -4.678 -15.446 -4.878 791 HG3 GLN 55 HG3 GLN 55 -3.088 -15.399 -5.640 792 HE21 GLN 55 HE21 GLN 55 -2.187 -17.301 -6.421 793 HE22 GLN 55 HE22 GLN 55 -3.134 -18.720 -6.702 794 H ALA 56 H ALA 56 -4.800 -16.685 -0.228 795 HA ALA 56 HA ALA 56 -2.293 -16.424 1.155 796 HB1 ALA 56 HB1 ALA 56 -3.741 -16.424 3.173 797 HB2 ALA 56 HB2 ALA 56 -5.129 -16.707 2.122 798 HB3 ALA 56 HB3 ALA 56 -4.200 -15.217 1.973 Start of MODEL 8 1 H GLN 10 H GLN 10 15.357 -13.025 3.074 2 HA GLN 10 HA GLN 10 16.756 -10.487 2.532 3 HB2 GLN 10 HB2 GLN 10 15.206 -10.300 0.622 4 HB3 GLN 10 HB3 GLN 10 16.337 -11.627 0.459 5 HG2 GLN 10 HG2 GLN 10 14.627 -13.187 1.176 6 HG3 GLN 10 HG3 GLN 10 13.494 -11.853 1.367 7 HE21 GLN 10 HE21 GLN 10 13.310 -14.215 -0.326 8 HE22 GLN 10 HE22 GLN 10 13.133 -13.636 -1.947 9 H ARG 11 H ARG 11 14.952 -8.845 2.033 10 HA ARG 11 HA ARG 11 12.849 -9.100 4.061 11 HB2 ARG 11 HB2 ARG 11 13.134 -6.801 4.724 12 HB3 ARG 11 HB3 ARG 11 14.665 -7.653 4.900 13 HG2 ARG 11 HG2 ARG 11 15.487 -6.695 2.870 14 HG3 ARG 11 HG3 ARG 11 13.910 -5.973 2.558 15 HD2 ARG 11 HD2 ARG 11 15.517 -4.334 3.453 16 HD3 ARG 11 HD3 ARG 11 14.141 -4.568 4.530 17 HE ARG 11 HE ARG 11 16.221 -6.314 5.281 18 HH11 ARG 11 HH11 ARG 11 15.460 -2.902 5.295 19 HH12 ARG 11 HH12 ARG 11 16.409 -2.561 6.703 20 HH21 ARG 11 HH21 ARG 11 17.469 -5.877 7.143 21 HH22 ARG 11 HH22 ARG 11 17.555 -4.253 7.752 22 H LEU 12 H LEU 12 10.917 -8.363 3.536 23 HA LEU 12 HA LEU 12 10.512 -7.083 0.954 24 HB2 LEU 12 HB2 LEU 12 9.000 -9.381 2.179 25 HB3 LEU 12 HB3 LEU 12 8.288 -8.368 0.941 26 HG LEU 12 HG LEU 12 9.055 -10.212 -0.240 27 HD11 LEU 12 HD11 LEU 12 10.880 -9.411 -1.599 28 HD12 LEU 12 HD12 LEU 12 11.317 -8.241 -0.353 29 HD13 LEU 12 HD13 LEU 12 9.780 -8.088 -1.209 30 HD21 LEU 12 HD21 LEU 12 11.283 -11.202 0.030 31 HD22 LEU 12 HD22 LEU 12 10.331 -11.293 1.513 32 HD23 LEU 12 HD23 LEU 12 11.608 -10.086 1.356 33 H ALA 13 H ALA 13 8.058 -6.332 0.932 34 HA ALA 13 HA ALA 13 7.546 -5.108 3.547 35 HB1 ALA 13 HB1 ALA 13 6.899 -3.079 2.576 36 HB2 ALA 13 HB2 ALA 13 6.888 -3.767 0.949 37 HB3 ALA 13 HB3 ALA 13 8.419 -3.522 1.792 38 H ASN 14 H ASN 14 5.727 -5.619 4.385 39 HA ASN 14 HA ASN 14 3.578 -6.759 2.783 40 HB2 ASN 14 HB2 ASN 14 4.015 -6.395 5.749 41 HB3 ASN 14 HB3 ASN 14 2.480 -6.940 5.096 42 HD21 ASN 14 HD21 ASN 14 5.551 -7.860 3.700 43 HD22 ASN 14 HD22 ASN 14 5.495 -9.519 4.184 44 H PHE 15 H PHE 15 1.492 -5.761 2.700 45 HA PHE 15 HA PHE 15 1.619 -2.885 3.269 46 HB2 PHE 15 HB2 PHE 15 1.269 -3.689 0.863 47 HB3 PHE 15 HB3 PHE 15 -0.335 -4.200 1.385 48 HD1 PHE 15 HD1 PHE 15 1.865 -1.325 0.792 49 HD2 PHE 15 HD2 PHE 15 -2.063 -2.593 1.843 50 HE1 PHE 15 HE1 PHE 15 1.031 0.958 0.424 51 HE2 PHE 15 HE2 PHE 15 -2.899 -0.310 1.478 52 HZ PHE 15 HZ PHE 15 -1.354 1.468 0.766 53 H LEU 16 H LEU 16 0.412 -2.144 4.847 54 HA LEU 16 HA LEU 16 -1.967 -3.662 5.642 55 HB2 LEU 16 HB2 LEU 16 -1.485 -3.500 7.918 56 HB3 LEU 16 HB3 LEU 16 0.057 -3.932 7.195 57 HG LEU 16 HG LEU 16 -0.775 -1.216 8.222 58 HD11 LEU 16 HD11 LEU 16 -0.140 -2.753 9.971 59 HD12 LEU 16 HD12 LEU 16 1.151 -1.571 9.749 60 HD13 LEU 16 HD13 LEU 16 1.324 -3.204 9.097 61 HD21 LEU 16 HD21 LEU 16 1.498 -0.493 7.655 62 HD22 LEU 16 HD22 LEU 16 0.514 -0.881 6.243 63 HD23 LEU 16 HD23 LEU 16 1.745 -2.018 6.800 64 H VAL 17 H VAL 17 -3.498 -2.284 6.901 65 HA VAL 17 HA VAL 17 -3.264 0.547 6.349 66 HB VAL 17 HB VAL 17 -4.210 -0.056 4.303 67 HG11 VAL 17 HG11 VAL 17 -4.738 -2.374 4.896 68 HG12 VAL 17 HG12 VAL 17 -6.009 -1.583 3.963 69 HG13 VAL 17 HG13 VAL 17 -6.195 -1.794 5.704 70 HG21 VAL 17 HG21 VAL 17 -5.401 1.777 5.333 71 HG22 VAL 17 HG22 VAL 17 -6.476 0.635 6.134 72 HG23 VAL 17 HG23 VAL 17 -6.512 0.796 4.377 73 H HIS 18 H HIS 18 -4.064 1.708 7.926 74 HA HIS 18 HA HIS 18 -5.727 0.547 9.981 75 HB2 HIS 18 HB2 HIS 18 -3.955 2.329 10.397 76 HB3 HIS 18 HB3 HIS 18 -5.041 3.475 9.614 77 HD1 HIS 18 HD1 HIS 18 -6.784 4.538 11.077 78 HD2 HIS 18 HD2 HIS 18 -5.051 1.208 12.848 79 HE1 HIS 18 HE1 HIS 18 -7.697 4.465 13.419 80 HE2 HIS 18 HE2 HIS 18 -6.507 2.533 14.515 81 H SER 19 H SER 19 -7.766 0.177 9.501 82 HA SER 19 HA SER 19 -9.024 0.797 7.173 83 HB2 SER 19 HB2 SER 19 -9.737 -0.985 8.657 84 HB3 SER 19 HB3 SER 19 -10.281 0.190 9.851 85 HG SER 19 HG SER 19 -11.614 -0.815 7.767 86 H SER 20 H SER 20 -8.882 2.896 9.960 87 HA SER 20 HA SER 20 -11.330 4.217 9.539 88 HB2 SER 20 HB2 SER 20 -8.909 5.344 10.938 89 HB3 SER 20 HB3 SER 20 -10.603 5.743 11.226 90 HG SER 20 HG SER 20 -10.815 3.418 11.773 91 H ASN 21 H ASN 21 -7.971 5.359 8.740 92 HA ASN 21 HA ASN 21 -9.272 7.028 6.704 93 HB2 ASN 21 HB2 ASN 21 -7.326 8.021 8.774 94 HB3 ASN 21 HB3 ASN 21 -7.664 8.900 7.288 95 HD21 ASN 21 HD21 ASN 21 -8.812 8.005 10.403 96 HD22 ASN 21 HD22 ASN 21 -10.244 8.971 10.392 97 H ASN 22 H ASN 22 -6.322 5.294 7.622 98 HA ASN 22 HA ASN 22 -5.140 6.198 5.078 99 HB2 ASN 22 HB2 ASN 22 -3.796 6.266 7.777 100 HB3 ASN 22 HB3 ASN 22 -2.942 6.457 6.254 101 HD21 ASN 22 HD21 ASN 22 -5.096 8.011 5.016 102 HD22 ASN 22 HD22 ASN 22 -5.034 9.573 5.754 103 H PHE 23 H PHE 23 -3.847 4.841 4.006 104 HA PHE 23 HA PHE 23 -3.441 2.145 5.021 105 HB2 PHE 23 HB2 PHE 23 -2.548 1.918 2.577 106 HB3 PHE 23 HB3 PHE 23 -4.279 2.004 2.849 107 HD1 PHE 23 HD1 PHE 23 -1.374 3.620 1.345 108 HD2 PHE 23 HD2 PHE 23 -5.491 4.100 2.354 109 HE1 PHE 23 HE1 PHE 23 -1.523 5.545 -0.169 110 HE2 PHE 23 HE2 PHE 23 -5.638 6.024 0.830 111 HZ PHE 23 HZ PHE 23 -3.654 6.748 -0.430 112 H GLY 24 H GLY 24 -1.310 1.205 5.080 113 HA2 GLY 24 HA2 GLY 24 0.880 3.167 4.848 114 HA3 GLY 24 HA3 GLY 24 0.671 2.283 6.350 115 H ALA 25 H ALA 25 2.890 1.599 5.929 116 HA ALA 25 HA ALA 25 2.945 -0.821 4.327 117 HB1 ALA 25 HB1 ALA 25 5.166 -0.231 3.405 118 HB2 ALA 25 HB2 ALA 25 4.988 1.389 4.090 119 HB3 ALA 25 HB3 ALA 25 3.879 0.828 2.828 120 H ILE 26 H ILE 26 4.850 -2.165 4.848 121 HA ILE 26 HA ILE 26 6.272 -1.574 7.269 122 HB ILE 26 HB ILE 26 4.241 -2.260 8.307 123 HG12 ILE 26 HG12 ILE 26 6.107 -4.634 8.386 124 HG13 ILE 26 HG13 ILE 26 6.470 -3.104 9.180 125 HG21 ILE 26 HG21 ILE 26 3.216 -4.447 7.913 126 HG22 ILE 26 HG22 ILE 26 4.392 -4.767 6.640 127 HG23 ILE 26 HG23 ILE 26 3.223 -3.463 6.450 128 HD11 ILE 26 HD11 ILE 26 5.550 -4.296 10.883 129 HD12 ILE 26 HD12 ILE 26 4.423 -5.144 9.826 130 HD13 ILE 26 HD13 ILE 26 4.131 -3.458 10.248 131 H LEU 27 H LEU 27 8.168 -2.605 7.268 132 HA LEU 27 HA LEU 27 8.693 -4.472 5.130 133 HB2 LEU 27 HB2 LEU 27 10.439 -3.040 7.095 134 HB3 LEU 27 HB3 LEU 27 11.057 -4.345 6.102 135 HG LEU 27 HG LEU 27 9.941 -1.714 5.145 136 HD11 LEU 27 HD11 LEU 27 12.208 -1.606 5.966 137 HD12 LEU 27 HD12 LEU 27 12.192 -1.486 4.199 138 HD13 LEU 27 HD13 LEU 27 12.645 -3.009 4.981 139 HD21 LEU 27 HD21 LEU 27 10.617 -2.539 2.894 140 HD22 LEU 27 HD22 LEU 27 9.223 -3.373 3.582 141 HD23 LEU 27 HD23 LEU 27 10.810 -4.145 3.597 142 H SER 28 H SER 28 9.783 -6.434 5.455 143 HA SER 28 HA SER 28 9.479 -7.664 8.079 144 HB2 SER 28 HB2 SER 28 8.160 -8.746 5.576 145 HB3 SER 28 HB3 SER 28 8.252 -9.583 7.122 146 HG SER 28 HG SER 28 7.281 -7.095 7.470 147 H SER 29 H SER 29 11.313 -8.615 8.502 148 HA SER 29 HA SER 29 12.886 -9.781 6.304 149 HB2 SER 29 HB2 SER 29 13.809 -8.787 9.015 150 HB3 SER 29 HB3 SER 29 14.847 -9.478 7.771 151 HG SER 29 HG SER 29 14.987 -7.535 7.020 152 H THR 30 H THR 30 12.294 -10.156 9.775 153 HA THR 30 HA THR 30 12.553 -13.060 9.500 154 HB THR 30 HB THR 30 12.568 -12.979 12.045 155 HG1 THR 30 HG1 THR 30 11.708 -10.721 12.000 156 HG21 THR 30 HG21 THR 30 14.769 -11.567 10.534 157 HG22 THR 30 HG22 THR 30 14.615 -13.306 10.774 158 HG23 THR 30 HG23 THR 30 14.925 -12.250 12.151 159 H GLY 13 H GLY 13 -13.855 1.693 9.692 160 HA2 GLY 13 HA2 GLY 13 -14.220 0.358 11.671 161 HA3 GLY 13 HA3 GLY 13 -13.189 -0.891 10.985 162 H GLY 14 H GLY 14 -12.074 -0.460 13.117 163 HA2 GLY 14 HA2 GLY 14 -10.218 1.820 12.809 164 HA3 GLY 14 HA3 GLY 14 -10.764 1.218 14.365 165 H GLU 15 H GLU 15 -10.308 -1.428 12.435 166 HA GLU 15 HA GLU 15 -7.855 -2.070 13.819 167 HB2 GLU 15 HB2 GLU 15 -8.133 -4.294 12.952 168 HB3 GLU 15 HB3 GLU 15 -9.699 -3.732 13.522 169 HG2 GLU 15 HG2 GLU 15 -10.416 -3.291 11.269 170 HG3 GLU 15 HG3 GLU 15 -8.817 -3.679 10.648 171 H ILE 16 H ILE 16 -5.987 -2.920 12.695 172 HA ILE 16 HA ILE 16 -5.543 -1.638 10.093 173 HB ILE 16 HB ILE 16 -3.536 -2.851 12.002 174 HG12 ILE 16 HG12 ILE 16 -4.117 0.059 11.443 175 HG13 ILE 16 HG13 ILE 16 -4.703 -0.815 12.856 176 HG21 ILE 16 HG21 ILE 16 -1.871 -1.690 10.611 177 HG22 ILE 16 HG22 ILE 16 -3.155 -1.202 9.507 178 HG23 ILE 16 HG23 ILE 16 -2.766 -2.910 9.704 179 HD11 ILE 16 HD11 ILE 16 -1.823 -0.335 12.145 180 HD12 ILE 16 HD12 ILE 16 -2.412 -1.204 13.564 181 HD13 ILE 16 HD13 ILE 16 -2.752 0.517 13.378 182 H VAL 17 H VAL 17 -5.806 -2.919 8.372 183 HA VAL 17 HA VAL 17 -5.523 -5.798 8.788 184 HB VAL 17 HB VAL 17 -6.544 -5.895 6.404 185 HG11 VAL 17 HG11 VAL 17 -7.558 -6.630 8.561 186 HG12 VAL 17 HG12 VAL 17 -8.732 -6.061 7.377 187 HG13 VAL 17 HG13 VAL 17 -8.266 -5.023 8.725 188 HG21 VAL 17 HG21 VAL 17 -8.190 -4.071 6.024 189 HG22 VAL 17 HG22 VAL 17 -6.504 -3.609 5.793 190 HG23 VAL 17 HG23 VAL 17 -7.351 -3.132 7.267 191 H TYR 18 H TYR 18 -3.839 -6.790 8.185 192 HA TYR 18 HA TYR 18 -1.937 -5.675 6.309 193 HB2 TYR 18 HB2 TYR 18 -1.942 -8.322 7.778 194 HB3 TYR 18 HB3 TYR 18 -0.620 -7.718 6.793 195 HD1 TYR 18 HD1 TYR 18 -2.512 -7.165 9.926 196 HD2 TYR 18 HD2 TYR 18 0.979 -6.207 7.691 197 HE1 TYR 18 HE1 TYR 18 -1.516 -6.141 11.925 198 HE2 TYR 18 HE2 TYR 18 1.984 -5.189 9.678 199 HH TYR 18 HH TYR 18 0.726 -5.613 12.802 200 H LEU 19 H LEU 19 -2.226 -5.966 4.183 201 HA LEU 19 HA LEU 19 -3.000 -8.663 3.307 202 HB2 LEU 19 HB2 LEU 19 -4.087 -7.428 1.280 203 HB3 LEU 19 HB3 LEU 19 -4.976 -7.576 2.784 204 HG LEU 19 HG LEU 19 -3.362 -5.119 2.484 205 HD11 LEU 19 HD11 LEU 19 -5.561 -4.344 1.185 206 HD12 LEU 19 HD12 LEU 19 -5.435 -6.017 0.597 207 HD13 LEU 19 HD13 LEU 19 -4.093 -4.887 0.370 208 HD21 LEU 19 HD21 LEU 19 -4.801 -5.504 4.433 209 HD22 LEU 19 HD22 LEU 19 -6.196 -5.696 3.371 210 HD23 LEU 19 HD23 LEU 19 -5.381 -4.137 3.481 211 HA PRO 20 HA PRO 20 0.889 -7.478 1.240 212 HB2 PRO 20 HB2 PRO 20 2.402 -9.473 2.110 213 HB3 PRO 20 HB3 PRO 20 1.962 -8.145 3.191 214 HG2 PRO 20 HG2 PRO 20 0.864 -10.915 3.047 215 HG3 PRO 20 HG3 PRO 20 1.159 -9.897 4.465 216 HD2 PRO 20 HD2 PRO 20 -1.303 -10.260 3.160 217 HD3 PRO 20 HD3 PRO 20 -0.924 -9.007 4.358 218 H ASN 21 H ASN 21 -1.281 -10.039 0.936 219 HA ASN 21 HA ASN 21 0.387 -11.596 -0.875 220 HB2 ASN 21 HB2 ASN 21 -2.422 -12.128 0.117 221 HB3 ASN 21 HB3 ASN 21 -1.475 -13.219 -0.888 222 HD21 ASN 21 HD21 ASN 21 -2.586 -13.748 1.685 223 HD22 ASN 21 HD22 ASN 21 -1.264 -14.116 2.741 224 H LEU 22 H LEU 22 -1.169 -8.892 -1.263 225 HA LEU 22 HA LEU 22 -2.844 -9.460 -3.515 226 HB2 LEU 22 HB2 LEU 22 -1.697 -6.871 -2.486 227 HB3 LEU 22 HB3 LEU 22 -2.807 -6.984 -3.834 228 HG LEU 22 HG LEU 22 -3.348 -7.487 -0.927 229 HD11 LEU 22 HD11 LEU 22 -3.590 -5.234 -1.647 230 HD12 LEU 22 HD12 LEU 22 -5.197 -5.918 -1.430 231 HD13 LEU 22 HD13 LEU 22 -4.532 -5.723 -3.051 232 HD21 LEU 22 HD21 LEU 22 -5.536 -8.266 -1.498 233 HD22 LEU 22 HD22 LEU 22 -4.312 -9.350 -2.175 234 HD23 LEU 22 HD23 LEU 22 -5.151 -8.205 -3.231 235 H ASN 23 H ASN 23 -2.480 -8.402 -5.577 236 HA ASN 23 HA ASN 23 0.294 -8.619 -6.474 237 HB2 ASN 23 HB2 ASN 23 -2.252 -8.025 -8.015 238 HB3 ASN 23 HB3 ASN 23 -0.654 -8.168 -8.740 239 HD21 ASN 23 HD21 ASN 23 -3.132 -9.701 -9.154 240 HD22 ASN 23 HD22 ASN 23 -2.691 -11.355 -8.879 241 HA PRO 24 HA PRO 24 1.088 -4.197 -6.363 242 HB2 PRO 24 HB2 PRO 24 1.800 -4.509 -9.252 243 HB3 PRO 24 HB3 PRO 24 2.706 -3.721 -7.956 244 HG2 PRO 24 HG2 PRO 24 3.444 -6.113 -8.839 245 HG3 PRO 24 HG3 PRO 24 3.499 -5.736 -7.107 246 HD2 PRO 24 HD2 PRO 24 1.531 -7.389 -8.626 247 HD3 PRO 24 HD3 PRO 24 2.166 -7.612 -6.984 248 H ASP 25 H ASP 25 -0.363 -5.533 -9.274 249 HA ASP 25 HA ASP 25 -1.893 -3.387 -10.144 250 HB2 ASP 25 HB2 ASP 25 -2.780 -6.274 -10.238 251 HB3 ASP 25 HB3 ASP 25 -3.180 -4.988 -11.372 252 H GLN 26 H GLN 26 -2.636 -5.888 -7.753 253 HA GLN 26 HA GLN 26 -5.328 -5.102 -7.365 254 HB2 GLN 26 HB2 GLN 26 -3.453 -6.855 -5.804 255 HB3 GLN 26 HB3 GLN 26 -5.057 -6.467 -5.187 256 HG2 GLN 26 HG2 GLN 26 -6.036 -7.392 -7.257 257 HG3 GLN 26 HG3 GLN 26 -4.425 -7.845 -7.786 258 HE21 GLN 26 HE21 GLN 26 -3.428 -9.624 -6.892 259 HE22 GLN 26 HE22 GLN 26 -4.250 -10.733 -5.854 260 H LEU 27 H LEU 27 -2.363 -4.431 -5.449 261 HA LEU 27 HA LEU 27 -3.610 -2.724 -3.603 262 HB2 LEU 27 HB2 LEU 27 -0.776 -2.690 -4.659 263 HB3 LEU 27 HB3 LEU 27 -1.342 -1.663 -3.360 264 HG LEU 27 HG LEU 27 -1.367 -4.673 -3.278 265 HD11 LEU 27 HD11 LEU 27 0.521 -2.771 -1.913 266 HD12 LEU 27 HD12 LEU 27 0.899 -3.681 -3.374 267 HD13 LEU 27 HD13 LEU 27 0.558 -4.535 -1.870 268 HD21 LEU 27 HD21 LEU 27 -1.863 -4.384 -0.942 269 HD22 LEU 27 HD22 LEU 27 -3.047 -3.483 -1.891 270 HD23 LEU 27 HD23 LEU 27 -1.726 -2.633 -1.093 271 H CYS 28 H CYS 28 -2.196 -2.092 -6.768 272 HA CYS 28 HA CYS 28 -2.501 0.666 -6.873 273 HB2 CYS 28 HB2 CYS 28 -1.345 -0.781 -8.567 274 HB3 CYS 28 HB3 CYS 28 -2.928 -1.273 -9.157 275 H ALA 29 H ALA 29 -4.769 -1.878 -7.862 276 HA ALA 29 HA ALA 29 -6.889 -0.181 -8.592 277 HB1 ALA 29 HB1 ALA 29 -6.729 -2.517 -9.300 278 HB2 ALA 29 HB2 ALA 29 -8.272 -2.187 -8.515 279 HB3 ALA 29 HB3 ALA 29 -7.002 -3.042 -7.639 280 H PHE 30 H PHE 30 -6.217 -1.903 -5.552 281 HA PHE 30 HA PHE 30 -8.612 -1.220 -4.261 282 HB2 PHE 30 HB2 PHE 30 -7.579 -2.977 -3.225 283 HB3 PHE 30 HB3 PHE 30 -5.968 -2.325 -3.481 284 HD1 PHE 30 HD1 PHE 30 -9.048 -1.688 -1.476 285 HD2 PHE 30 HD2 PHE 30 -4.812 -1.498 -1.720 286 HE1 PHE 30 HE1 PHE 30 -8.952 -0.965 0.875 287 HE2 PHE 30 HE2 PHE 30 -4.701 -0.775 0.634 288 HZ PHE 30 HZ PHE 30 -6.778 -0.507 1.934 289 H ILE 31 H ILE 31 -5.375 0.261 -4.034 290 HA ILE 31 HA ILE 31 -6.159 2.279 -2.222 291 HB ILE 31 HB ILE 31 -3.832 2.202 -4.140 292 HG12 ILE 31 HG12 ILE 31 -3.868 1.689 -1.164 293 HG13 ILE 31 HG13 ILE 31 -4.041 0.405 -2.355 294 HG21 ILE 31 HG21 ILE 31 -4.362 4.032 -1.801 295 HG22 ILE 31 HG22 ILE 31 -4.270 4.493 -3.501 296 HG23 ILE 31 HG23 ILE 31 -2.831 3.913 -2.666 297 HD11 ILE 31 HD11 ILE 31 -1.685 2.261 -2.183 298 HD12 ILE 31 HD12 ILE 31 -1.853 0.843 -3.223 299 HD13 ILE 31 HD13 ILE 31 -1.753 0.648 -1.472 300 H HIS 32 H HIS 32 -6.078 2.081 -5.694 301 HA HIS 32 HA HIS 32 -6.643 4.768 -6.302 302 HB2 HIS 32 HB2 HIS 32 -5.927 2.938 -7.918 303 HB3 HIS 32 HB3 HIS 32 -7.589 2.368 -7.882 304 HD1 HIS 32 HD1 HIS 32 -6.384 3.241 -10.526 305 HD2 HIS 32 HD2 HIS 32 -8.461 5.815 -8.005 306 HE1 HIS 32 HE1 HIS 32 -7.210 5.110 -11.994 307 HE2 HIS 32 HE2 HIS 32 -8.330 6.727 -10.418 308 H SER 33 H SER 33 -8.782 1.967 -5.780 309 HA SER 33 HA SER 33 -11.162 3.415 -6.256 310 HB2 SER 33 HB2 SER 33 -12.280 1.426 -5.191 311 HB3 SER 33 HB3 SER 33 -11.221 1.057 -6.549 312 HG SER 33 HG SER 33 -9.851 1.011 -4.212 313 H ILE 34 H ILE 34 -9.148 3.202 -3.450 314 HA ILE 34 HA ILE 34 -11.115 3.957 -1.527 315 HB ILE 34 HB ILE 34 -8.130 4.452 -1.494 316 HG12 ILE 34 HG12 ILE 34 -8.728 2.061 -1.564 317 HG13 ILE 34 HG13 ILE 34 -8.037 2.499 -0.006 318 HG21 ILE 34 HG21 ILE 34 -10.131 4.607 0.766 319 HG22 ILE 34 HG22 ILE 34 -9.353 5.982 -0.014 320 HG23 ILE 34 HG23 ILE 34 -8.386 4.827 0.905 321 HD11 ILE 34 HD11 ILE 34 -10.279 2.574 0.962 322 HD12 ILE 34 HD12 ILE 34 -9.924 0.997 0.258 323 HD13 ILE 34 HD13 ILE 34 -10.967 2.131 -0.600 324 H HIS 35 H HIS 35 -8.839 5.738 -3.544 325 HA HIS 35 HA HIS 35 -9.680 8.288 -2.513 326 HB2 HIS 35 HB2 HIS 35 -7.374 7.762 -3.372 327 HB3 HIS 35 HB3 HIS 35 -8.054 7.719 -4.994 328 HD1 HIS 35 HD1 HIS 35 -8.294 9.913 -6.199 329 HD2 HIS 35 HD2 HIS 35 -7.537 10.392 -2.137 330 HE1 HIS 35 HE1 HIS 35 -7.899 12.374 -5.866 331 HE2 HIS 35 HE2 HIS 35 -7.567 12.656 -3.387 332 H ASP 36 H ASP 36 -10.381 6.245 -5.230 333 HA ASP 36 HA ASP 36 -11.877 8.151 -6.727 334 HB2 ASP 36 HB2 ASP 36 -10.834 6.071 -7.658 335 HB3 ASP 36 HB3 ASP 36 -12.066 5.136 -6.821 336 H ASP 37 H ASP 37 -12.839 5.445 -4.593 337 HA ASP 37 HA ASP 37 -15.368 6.855 -4.122 338 HB2 ASP 37 HB2 ASP 37 -14.754 3.991 -4.597 339 HB3 ASP 37 HB3 ASP 37 -15.910 4.347 -3.332 340 HA PRO 38 HA PRO 38 -12.860 6.738 -0.255 341 HB2 PRO 38 HB2 PRO 38 -13.395 9.212 0.607 342 HB3 PRO 38 HB3 PRO 38 -12.238 8.904 -0.682 343 HG2 PRO 38 HG2 PRO 38 -15.091 9.778 -0.906 344 HG3 PRO 38 HG3 PRO 38 -13.663 10.419 -1.741 345 HD2 PRO 38 HD2 PRO 38 -15.363 8.637 -2.890 346 HD3 PRO 38 HD3 PRO 38 -13.631 8.699 -3.274 347 H SER 39 H SER 39 -16.176 7.235 -0.862 348 HA SER 39 HA SER 39 -16.935 7.046 1.929 349 HB2 SER 39 HB2 SER 39 -18.276 8.350 0.209 350 HB3 SER 39 HB3 SER 39 -18.770 6.797 -0.461 351 HG SER 39 HG SER 39 -20.333 7.288 0.971 352 H GLN 40 H GLN 40 -16.780 4.998 -0.931 353 HA GLN 40 HA GLN 40 -18.005 2.753 0.365 354 HB2 GLN 40 HB2 GLN 40 -16.400 2.764 -2.193 355 HB3 GLN 40 HB3 GLN 40 -17.509 1.528 -1.643 356 HG2 GLN 40 HG2 GLN 40 -19.315 3.269 -1.766 357 HG3 GLN 40 HG3 GLN 40 -18.156 4.272 -2.631 358 HE21 GLN 40 HE21 GLN 40 -19.352 4.251 -4.527 359 HE22 GLN 40 HE22 GLN 40 -19.488 2.843 -5.521 360 H SER 41 H SER 41 -15.003 4.132 0.656 361 HA SER 41 HA SER 41 -13.049 2.306 0.342 362 HB2 SER 41 HB2 SER 41 -11.885 3.375 2.269 363 HB3 SER 41 HB3 SER 41 -12.587 4.538 1.145 364 HG SER 41 HG SER 41 -12.964 4.454 3.704 365 H ALA 42 H ALA 42 -15.305 2.374 3.055 366 HA ALA 42 HA ALA 42 -14.276 0.436 4.722 367 HB1 ALA 42 HB1 ALA 42 -17.172 0.863 4.026 368 HB2 ALA 42 HB2 ALA 42 -16.256 1.811 5.202 369 HB3 ALA 42 HB3 ALA 42 -16.553 0.094 5.488 370 H ASN 43 H ASN 43 -16.205 0.022 1.806 371 HA ASN 43 HA ASN 43 -16.233 -2.861 2.076 372 HB2 ASN 43 HB2 ASN 43 -18.165 -1.618 1.108 373 HB3 ASN 43 HB3 ASN 43 -17.151 -1.173 -0.260 374 HD21 ASN 43 HD21 ASN 43 -18.843 -3.742 1.342 375 HD22 ASN 43 HD22 ASN 43 -18.761 -4.882 0.046 376 H LEU 44 H LEU 44 -14.543 -0.421 0.160 377 HA LEU 44 HA LEU 44 -13.349 -2.173 -1.671 378 HB2 LEU 44 HB2 LEU 44 -12.570 0.544 -0.683 379 HB3 LEU 44 HB3 LEU 44 -11.505 -0.348 -1.749 380 HG LEU 44 HG LEU 44 -12.662 0.988 -3.238 381 HD11 LEU 44 HD11 LEU 44 -14.169 -0.384 -4.496 382 HD12 LEU 44 HD12 LEU 44 -14.448 -1.427 -3.101 383 HD13 LEU 44 HD13 LEU 44 -12.860 -1.391 -3.869 384 HD21 LEU 44 HD21 LEU 44 -15.182 0.506 -1.671 385 HD22 LEU 44 HD22 LEU 44 -15.049 1.475 -3.136 386 HD23 LEU 44 HD23 LEU 44 -14.210 1.977 -1.668 387 H LEU 45 H LEU 45 -12.275 -1.202 1.596 388 HA LEU 45 HA LEU 45 -9.874 -2.790 1.235 389 HB2 LEU 45 HB2 LEU 45 -9.034 -1.874 3.129 390 HB3 LEU 45 HB3 LEU 45 -10.198 -0.630 2.730 391 HG LEU 45 HG LEU 45 -11.009 -2.826 4.585 392 HD11 LEU 45 HD11 LEU 45 -8.849 -2.090 5.437 393 HD12 LEU 45 HD12 LEU 45 -10.157 -1.519 6.475 394 HD13 LEU 45 HD13 LEU 45 -9.376 -0.408 5.348 395 HD21 LEU 45 HD21 LEU 45 -11.665 0.110 4.410 396 HD22 LEU 45 HD22 LEU 45 -12.360 -1.037 5.555 397 HD23 LEU 45 HD23 LEU 45 -12.675 -1.213 3.829 398 H ALA 46 H ALA 46 -13.073 -3.254 2.275 399 HA ALA 46 HA ALA 46 -12.771 -5.580 3.852 400 HB1 ALA 46 HB1 ALA 46 -15.032 -4.905 1.968 401 HB2 ALA 46 HB2 ALA 46 -14.892 -4.298 3.625 402 HB3 ALA 46 HB3 ALA 46 -15.092 -6.027 3.332 403 H GLU 47 H GLU 47 -13.218 -5.019 0.418 404 HA GLU 47 HA GLU 47 -13.119 -7.653 -0.507 405 HB2 GLU 47 HB2 GLU 47 -12.058 -5.161 -1.856 406 HB3 GLU 47 HB3 GLU 47 -12.468 -6.676 -2.654 407 HG2 GLU 47 HG2 GLU 47 -14.432 -5.030 -1.110 408 HG3 GLU 47 HG3 GLU 47 -14.150 -4.855 -2.846 409 H ALA 48 H ALA 48 -10.566 -5.270 -0.038 410 HA ALA 48 HA ALA 48 -8.430 -6.704 -1.027 411 HB1 ALA 48 HB1 ALA 48 -8.363 -4.338 -0.357 412 HB2 ALA 48 HB2 ALA 48 -6.992 -5.293 0.213 413 HB3 ALA 48 HB3 ALA 48 -8.291 -4.860 1.329 414 H LYS 49 H LYS 49 -9.911 -6.903 2.164 415 HA LYS 49 HA LYS 49 -7.992 -8.558 3.397 416 HB2 LYS 49 HB2 LYS 49 -10.972 -8.481 3.889 417 HB3 LYS 49 HB3 LYS 49 -9.771 -9.157 4.973 418 HG2 LYS 49 HG2 LYS 49 -8.893 -7.019 5.454 419 HG3 LYS 49 HG3 LYS 49 -9.844 -6.255 4.181 420 HD2 LYS 49 HD2 LYS 49 -11.878 -7.188 5.454 421 HD3 LYS 49 HD3 LYS 49 -10.759 -7.401 6.798 422 HE2 LYS 49 HE2 LYS 49 -10.249 -5.030 6.780 423 HE3 LYS 49 HE3 LYS 49 -11.285 -4.800 5.373 424 HZ1 LYS 49 HZ1 LYS 49 -13.166 -5.572 6.729 425 HZ2 LYS 49 HZ2 LYS 49 -12.464 -4.162 7.335 426 HZ3 LYS 49 HZ3 LYS 49 -12.151 -5.647 8.080 427 H LYS 50 H LYS 50 -10.766 -9.248 1.341 428 HA LYS 50 HA LYS 50 -10.466 -12.110 1.583 429 HB2 LYS 50 HB2 LYS 50 -12.155 -10.360 -0.205 430 HB3 LYS 50 HB3 LYS 50 -12.231 -12.118 -0.205 431 HG2 LYS 50 HG2 LYS 50 -12.861 -10.327 2.136 432 HG3 LYS 50 HG3 LYS 50 -14.043 -11.123 1.097 433 HD2 LYS 50 HD2 LYS 50 -13.074 -13.311 1.773 434 HD3 LYS 50 HD3 LYS 50 -12.032 -12.454 2.909 435 HE2 LYS 50 HE2 LYS 50 -15.047 -12.419 2.925 436 HE3 LYS 50 HE3 LYS 50 -14.035 -13.389 3.990 437 HZ1 LYS 50 HZ1 LYS 50 -13.075 -11.292 4.830 438 HZ2 LYS 50 HZ2 LYS 50 -14.729 -11.437 5.142 439 HZ3 LYS 50 HZ3 LYS 50 -14.190 -10.426 3.899 440 H LEU 51 H LEU 51 -9.409 -9.539 -0.459 441 HA LEU 51 HA LEU 51 -8.615 -10.978 -2.729 442 HB2 LEU 51 HB2 LEU 51 -8.228 -8.336 -1.589 443 HB3 LEU 51 HB3 LEU 51 -6.844 -8.889 -2.479 444 HG LEU 51 HG LEU 51 -8.284 -9.242 -4.439 445 HD11 LEU 51 HD11 LEU 51 -10.511 -8.240 -4.507 446 HD12 LEU 51 HD12 LEU 51 -10.381 -7.799 -2.806 447 HD13 LEU 51 HD13 LEU 51 -10.439 -9.500 -3.276 448 HD21 LEU 51 HD21 LEU 51 -6.980 -7.254 -4.330 449 HD22 LEU 51 HD22 LEU 51 -8.161 -6.477 -3.272 450 HD23 LEU 51 HD23 LEU 51 -8.575 -6.826 -4.951 451 H ASN 52 H ASN 52 -6.548 -9.728 -0.023 452 HA ASN 52 HA ASN 52 -4.297 -11.254 -0.716 453 HB2 ASN 52 HB2 ASN 52 -3.395 -10.750 1.427 454 HB3 ASN 52 HB3 ASN 52 -4.356 -9.359 0.949 455 HD21 ASN 52 HD21 ASN 52 -4.114 -12.075 3.122 456 HD22 ASN 52 HD22 ASN 52 -5.350 -11.557 4.217 457 H ASP 53 H ASP 53 -7.224 -12.238 0.797 458 HA ASP 53 HA ASP 53 -6.155 -14.617 2.006 459 HB2 ASP 53 HB2 ASP 53 -8.157 -13.530 2.916 460 HB3 ASP 53 HB3 ASP 53 -9.015 -13.828 1.408 461 H ALA 54 H ALA 54 -7.754 -13.780 -1.005 462 HA ALA 54 HA ALA 54 -8.128 -16.459 -1.897 463 HB1 ALA 54 HB1 ALA 54 -9.466 -14.550 -2.703 464 HB2 ALA 54 HB2 ALA 54 -8.743 -15.484 -4.012 465 HB3 ALA 54 HB3 ALA 54 -8.041 -13.936 -3.540 466 H GLN 55 H GLN 55 -5.527 -14.149 -2.130 467 HA GLN 55 HA GLN 55 -4.117 -15.839 -4.056 468 HB2 GLN 55 HB2 GLN 55 -4.309 -13.312 -4.318 469 HB3 GLN 55 HB3 GLN 55 -3.201 -13.181 -2.962 470 HG2 GLN 55 HG2 GLN 55 -1.994 -12.948 -5.029 471 HG3 GLN 55 HG3 GLN 55 -1.523 -14.448 -4.231 472 HE21 GLN 55 HE21 GLN 55 -0.805 -15.385 -6.126 473 HE22 GLN 55 HE22 GLN 55 -1.888 -15.919 -7.367 474 H ALA 56 H ALA 56 -4.561 -16.161 -0.999 475 HA ALA 56 HA ALA 56 -1.895 -16.267 0.057 476 HB1 ALA 56 HB1 ALA 56 -3.581 -15.840 1.629 477 HB2 ALA 56 HB2 ALA 56 -3.131 -17.524 1.915 478 HB3 ALA 56 HB3 ALA 56 -4.596 -17.138 1.009 479 H GLY 13 H GLY 13 15.153 -2.776 8.704 480 HA2 GLY 13 HA2 GLY 13 13.480 -4.209 7.708 481 HA3 GLY 13 HA3 GLY 13 14.636 -5.118 8.670 482 H GLY 14 H GLY 14 11.455 -3.563 8.820 483 HA2 GLY 14 HA2 GLY 14 9.708 -5.305 9.521 484 HA3 GLY 14 HA3 GLY 14 10.710 -5.458 10.959 485 H GLU 15 H GLU 15 10.801 -2.317 9.863 486 HA GLU 15 HA GLU 15 9.092 -1.408 11.987 487 HB2 GLU 15 HB2 GLU 15 9.706 0.868 11.134 488 HB3 GLU 15 HB3 GLU 15 11.050 -0.123 11.630 489 HG2 GLU 15 HG2 GLU 15 10.210 0.078 8.788 490 HG3 GLU 15 HG3 GLU 15 11.282 1.265 9.511 491 H ILE 16 H ILE 16 7.390 0.109 11.685 492 HA ILE 16 HA ILE 16 5.742 -0.570 9.352 493 HB ILE 16 HB ILE 16 4.885 0.919 11.841 494 HG12 ILE 16 HG12 ILE 16 4.835 -2.020 11.176 495 HG13 ILE 16 HG13 ILE 16 5.517 -1.241 12.597 496 HG21 ILE 16 HG21 ILE 16 2.622 0.361 11.087 497 HG22 ILE 16 HG22 ILE 16 3.295 -0.424 9.657 498 HG23 ILE 16 HG23 ILE 16 3.488 1.313 9.882 499 HD11 ILE 16 HD11 ILE 16 2.594 -1.498 11.929 500 HD12 ILE 16 HD12 ILE 16 3.250 -0.649 13.332 501 HD13 ILE 16 HD13 ILE 16 3.478 -2.392 13.168 502 H VAL 17 H VAL 17 5.332 0.910 7.783 503 HA VAL 17 HA VAL 17 6.367 3.633 8.270 504 HB VAL 17 HB VAL 17 6.924 1.911 5.847 505 HG11 VAL 17 HG11 VAL 17 7.631 4.753 6.480 506 HG12 VAL 17 HG12 VAL 17 6.791 4.105 5.068 507 HG13 VAL 17 HG13 VAL 17 8.513 3.794 5.288 508 HG21 VAL 17 HG21 VAL 17 8.746 2.830 8.046 509 HG22 VAL 17 HG22 VAL 17 9.263 2.045 6.554 510 HG23 VAL 17 HG23 VAL 17 8.242 1.176 7.697 511 H TYR 18 H TYR 18 4.344 4.583 8.340 512 HA TYR 18 HA TYR 18 2.370 3.982 6.309 513 HB2 TYR 18 HB2 TYR 18 2.404 5.455 8.865 514 HB3 TYR 18 HB3 TYR 18 1.306 6.085 7.643 515 HD1 TYR 18 HD1 TYR 18 -0.820 5.213 7.518 516 HD2 TYR 18 HD2 TYR 18 2.263 2.839 9.236 517 HE1 TYR 18 HE1 TYR 18 -2.474 3.486 8.084 518 HE2 TYR 18 HE2 TYR 18 0.616 1.107 9.809 519 HH TYR 18 HH TYR 18 -1.824 0.961 10.215 520 H LEU 19 H LEU 19 2.045 5.044 4.491 521 HA LEU 19 HA LEU 19 3.140 7.757 4.209 522 HB2 LEU 19 HB2 LEU 19 3.346 5.436 2.309 523 HB3 LEU 19 HB3 LEU 19 3.389 7.078 1.707 524 HG LEU 19 HG LEU 19 5.348 7.502 3.205 525 HD11 LEU 19 HD11 LEU 19 6.552 5.619 4.083 526 HD12 LEU 19 HD12 LEU 19 5.307 4.511 3.510 527 HD13 LEU 19 HD13 LEU 19 4.938 5.673 4.785 528 HD21 LEU 19 HD21 LEU 19 5.578 5.314 1.162 529 HD22 LEU 19 HD22 LEU 19 6.918 6.286 1.783 530 HD23 LEU 19 HD23 LEU 19 5.623 7.055 0.854 531 HA PRO 20 HA PRO 20 -1.361 7.713 3.260 532 HB2 PRO 20 HB2 PRO 20 -2.047 9.865 4.709 533 HB3 PRO 20 HB3 PRO 20 -1.809 8.279 5.453 534 HG2 PRO 20 HG2 PRO 20 0.046 10.625 5.355 535 HG3 PRO 20 HG3 PRO 20 -0.314 9.539 6.709 536 HD2 PRO 20 HD2 PRO 20 1.908 9.316 5.120 537 HD3 PRO 20 HD3 PRO 20 1.173 7.953 5.988 538 H ASN 21 H ASN 21 1.196 9.894 2.667 539 HA ASN 21 HA ASN 21 -0.497 11.857 1.328 540 HB2 ASN 21 HB2 ASN 21 2.500 11.786 1.737 541 HB3 ASN 21 HB3 ASN 21 1.626 13.095 0.949 542 HD21 ASN 21 HD21 ASN 21 3.281 13.141 3.321 543 HD22 ASN 21 HD22 ASN 21 2.278 13.729 4.604 544 H LEU 22 H LEU 22 1.195 9.030 0.592 545 HA LEU 22 HA LEU 22 1.986 9.582 -2.055 546 HB2 LEU 22 HB2 LEU 22 1.353 7.042 -0.614 547 HB3 LEU 22 HB3 LEU 22 1.745 7.053 -2.322 548 HG LEU 22 HG LEU 22 3.543 7.899 -0.050 549 HD11 LEU 22 HD11 LEU 22 3.869 5.723 -2.104 550 HD12 LEU 22 HD12 LEU 22 3.161 5.458 -0.512 551 HD13 LEU 22 HD13 LEU 22 4.826 6.002 -0.655 552 HD21 LEU 22 HD21 LEU 22 5.236 8.185 -1.850 553 HD22 LEU 22 HD22 LEU 22 3.956 9.400 -1.852 554 HD23 LEU 22 HD23 LEU 22 3.928 8.090 -3.034 555 H ASN 23 H ASN 23 0.815 9.993 -3.739 556 HA ASN 23 HA ASN 23 -2.013 9.444 -3.762 557 HB2 ASN 23 HB2 ASN 23 -1.964 10.447 -6.039 558 HB3 ASN 23 HB3 ASN 23 -1.262 11.500 -4.815 559 HD21 ASN 23 HD21 ASN 23 0.951 11.896 -4.829 560 HD22 ASN 23 HD22 ASN 23 1.934 11.537 -6.209 561 HA PRO 24 HA PRO 24 -2.257 5.344 -5.207 562 HB2 PRO 24 HB2 PRO 24 -3.825 6.552 -7.458 563 HB3 PRO 24 HB3 PRO 24 -4.179 5.115 -6.495 564 HG2 PRO 24 HG2 PRO 24 -5.403 7.417 -5.975 565 HG3 PRO 24 HG3 PRO 24 -4.872 6.357 -4.656 566 HD2 PRO 24 HD2 PRO 24 -3.748 8.942 -5.569 567 HD3 PRO 24 HD3 PRO 24 -3.694 8.191 -3.964 568 H ASP 25 H ASP 25 -1.896 7.623 -7.924 569 HA ASP 25 HA ASP 25 -0.797 5.879 -9.774 570 HB2 ASP 25 HB2 ASP 25 -1.559 8.075 -10.423 571 HB3 ASP 25 HB3 ASP 25 -0.323 8.843 -9.429 572 H GLN 26 H GLN 26 0.879 7.755 -7.272 573 HA GLN 26 HA GLN 26 3.487 7.120 -8.248 574 HB2 GLN 26 HB2 GLN 26 2.536 8.246 -5.622 575 HB3 GLN 26 HB3 GLN 26 4.236 7.955 -5.976 576 HG2 GLN 26 HG2 GLN 26 2.407 9.783 -7.513 577 HG3 GLN 26 HG3 GLN 26 3.607 10.281 -6.327 578 HE21 GLN 26 HE21 GLN 26 4.740 11.526 -7.762 579 HE22 GLN 26 HE22 GLN 26 5.695 10.858 -9.041 580 H LEU 27 H LEU 27 1.684 5.991 -5.373 581 HA LEU 27 HA LEU 27 3.686 4.142 -4.635 582 HB2 LEU 27 HB2 LEU 27 1.868 3.129 -3.198 583 HB3 LEU 27 HB3 LEU 27 2.257 4.810 -2.908 584 HG LEU 27 HG LEU 27 0.229 5.316 -4.432 585 HD11 LEU 27 HD11 LEU 27 -0.337 2.462 -3.677 586 HD12 LEU 27 HD12 LEU 27 -0.135 3.107 -5.306 587 HD13 LEU 27 HD13 LEU 27 -1.522 3.590 -4.329 588 HD21 LEU 27 HD21 LEU 27 -1.281 5.182 -2.508 589 HD22 LEU 27 HD22 LEU 27 0.301 5.816 -2.058 590 HD23 LEU 27 HD23 LEU 27 -0.126 4.144 -1.670 591 H CYS 28 H CYS 28 1.124 4.012 -6.917 592 HA CYS 28 HA CYS 28 0.791 1.274 -7.293 593 HB2 CYS 28 HB2 CYS 28 -0.567 3.036 -8.381 594 HB3 CYS 28 HB3 CYS 28 0.810 3.463 -9.386 595 H ALA 29 H ALA 29 3.330 3.449 -8.359 596 HA ALA 29 HA ALA 29 4.561 1.509 -10.095 597 HB1 ALA 29 HB1 ALA 29 4.668 3.912 -10.576 598 HB2 ALA 29 HB2 ALA 29 6.272 3.193 -10.439 599 HB3 ALA 29 HB3 ALA 29 5.620 4.155 -9.112 600 H PHE 30 H PHE 30 5.234 2.874 -6.889 601 HA PHE 30 HA PHE 30 7.744 1.625 -6.570 602 HB2 PHE 30 HB2 PHE 30 5.817 2.663 -4.490 603 HB3 PHE 30 HB3 PHE 30 7.469 2.150 -4.152 604 HD1 PHE 30 HD1 PHE 30 5.560 4.934 -4.534 605 HD2 PHE 30 HD2 PHE 30 9.166 3.245 -6.028 606 HE1 PHE 30 HE1 PHE 30 6.365 7.176 -5.120 607 HE2 PHE 30 HE2 PHE 30 9.980 5.490 -6.613 608 HZ PHE 30 HZ PHE 30 8.576 7.461 -6.158 609 H ILE 31 H ILE 31 4.479 0.615 -5.703 610 HA ILE 31 HA ILE 31 5.174 -1.706 -4.276 611 HB ILE 31 HB ILE 31 2.735 -1.096 -5.950 612 HG12 ILE 31 HG12 ILE 31 3.112 -1.127 -2.945 613 HG13 ILE 31 HG13 ILE 31 3.171 0.335 -3.943 614 HG21 ILE 31 HG21 ILE 31 3.120 -3.532 -5.714 615 HG22 ILE 31 HG22 ILE 31 1.650 -2.972 -4.919 616 HG23 ILE 31 HG23 ILE 31 3.086 -3.333 -3.961 617 HD11 ILE 31 HD11 ILE 31 1.014 0.091 -2.863 618 HD12 ILE 31 HD12 ILE 31 0.798 -1.494 -3.609 619 HD13 ILE 31 HD13 ILE 31 0.854 -0.045 -4.614 620 H HIS 32 H HIS 32 4.570 -1.151 -7.714 621 HA HIS 32 HA HIS 32 4.995 -3.805 -8.585 622 HB2 HIS 32 HB2 HIS 32 3.954 -1.819 -9.855 623 HB3 HIS 32 HB3 HIS 32 5.605 -1.336 -10.209 624 HD1 HIS 32 HD1 HIS 32 2.899 -3.286 -11.532 625 HD2 HIS 32 HD2 HIS 32 7.053 -3.515 -11.666 626 HE1 HIS 32 HE1 HIS 32 3.435 -4.771 -13.491 627 HE2 HIS 32 HE2 HIS 32 5.950 -4.945 -13.518 628 H SER 33 H SER 33 7.096 -1.121 -7.881 629 HA SER 33 HA SER 33 9.452 -2.097 -9.092 630 HB2 SER 33 HB2 SER 33 8.947 0.287 -8.367 631 HB3 SER 33 HB3 SER 33 9.290 -0.230 -6.719 632 HG SER 33 HG SER 33 11.265 -0.989 -8.410 633 H ILE 34 H ILE 34 8.042 -2.529 -5.868 634 HA ILE 34 HA ILE 34 10.243 -3.846 -4.669 635 HB ILE 34 HB ILE 34 7.321 -4.385 -4.100 636 HG12 ILE 34 HG12 ILE 34 7.877 -1.964 -3.945 637 HG13 ILE 34 HG13 ILE 34 7.431 -2.665 -2.393 638 HG21 ILE 34 HG21 ILE 34 9.768 -4.737 -2.362 639 HG22 ILE 34 HG22 ILE 34 8.893 -6.034 -3.172 640 HG23 ILE 34 HG23 ILE 34 8.104 -5.096 -1.901 641 HD11 ILE 34 HD11 ILE 34 9.715 -2.722 -1.701 642 HD12 ILE 34 HD12 ILE 34 9.343 -1.101 -2.288 643 HD13 ILE 34 HD13 ILE 34 10.260 -2.217 -3.299 644 H HIS 35 H HIS 35 7.525 -4.965 -6.575 645 HA HIS 35 HA HIS 35 8.093 -7.745 -6.333 646 HB2 HIS 35 HB2 HIS 35 5.886 -6.569 -7.002 647 HB3 HIS 35 HB3 HIS 35 6.579 -6.490 -8.614 648 HD1 HIS 35 HD1 HIS 35 4.734 -8.682 -6.364 649 HD2 HIS 35 HD2 HIS 35 7.100 -9.135 -9.747 650 HE1 HIS 35 HE1 HIS 35 4.191 -10.962 -7.267 651 HE2 HIS 35 HE2 HIS 35 5.493 -11.129 -9.414 652 H ASP 36 H ASP 36 9.275 -5.189 -8.305 653 HA ASP 36 HA ASP 36 10.391 -6.895 -10.347 654 HB2 ASP 36 HB2 ASP 36 9.633 -4.726 -11.046 655 HB3 ASP 36 HB3 ASP 36 10.602 -3.933 -9.808 656 H ASP 37 H ASP 37 11.429 -5.348 -7.437 657 HA ASP 37 HA ASP 37 13.943 -6.774 -7.512 658 HB2 ASP 37 HB2 ASP 37 14.174 -4.413 -8.637 659 HB3 ASP 37 HB3 ASP 37 14.141 -3.826 -6.974 660 HA PRO 38 HA PRO 38 11.700 -6.548 -3.449 661 HB2 PRO 38 HB2 PRO 38 12.584 -9.036 -2.692 662 HB3 PRO 38 HB3 PRO 38 11.080 -8.734 -3.554 663 HG2 PRO 38 HG2 PRO 38 13.742 -9.584 -4.630 664 HG3 PRO 38 HG3 PRO 38 12.121 -10.163 -5.065 665 HD2 PRO 38 HD2 PRO 38 13.408 -8.426 -6.627 666 HD3 PRO 38 HD3 PRO 38 11.661 -8.281 -6.356 667 H SER 39 H SER 39 15.018 -7.162 -4.301 668 HA SER 39 HA SER 39 16.095 -7.165 -1.677 669 HB2 SER 39 HB2 SER 39 17.483 -6.313 -4.227 670 HB3 SER 39 HB3 SER 39 18.237 -6.930 -2.757 671 HG SER 39 HG SER 39 17.125 -8.287 -4.844 672 H GLN 40 H GLN 40 15.169 -4.702 -3.943 673 HA GLN 40 HA GLN 40 16.445 -2.544 -2.522 674 HB2 GLN 40 HB2 GLN 40 14.497 -2.574 -4.827 675 HB3 GLN 40 HB3 GLN 40 15.323 -1.144 -4.224 676 HG2 GLN 40 HG2 GLN 40 16.907 -3.504 -5.055 677 HG3 GLN 40 HG3 GLN 40 16.230 -2.446 -6.278 678 HE21 GLN 40 HE21 GLN 40 18.297 -1.811 -6.934 679 HE22 GLN 40 HE22 GLN 40 19.260 -0.726 -5.995 680 H SER 41 H SER 41 13.882 -4.341 -1.730 681 HA SER 41 HA SER 41 11.585 -2.967 -1.561 682 HB2 SER 41 HB2 SER 41 11.185 -4.153 0.648 683 HB3 SER 41 HB3 SER 41 11.658 -5.178 -0.707 684 HG SER 41 HG SER 41 13.214 -5.820 0.538 685 H ALA 42 H ALA 42 13.821 -2.863 1.221 686 HA ALA 42 HA ALA 42 12.653 -0.769 2.579 687 HB1 ALA 42 HB1 ALA 42 15.582 -1.428 2.473 688 HB2 ALA 42 HB2 ALA 42 14.381 -2.270 3.461 689 HB3 ALA 42 HB3 ALA 42 14.740 -0.570 3.766 690 H ASN 43 H ASN 43 15.142 -0.617 0.084 691 HA ASN 43 HA ASN 43 15.599 2.178 0.304 692 HB2 ASN 43 HB2 ASN 43 17.244 0.710 -0.668 693 HB3 ASN 43 HB3 ASN 43 16.130 0.237 -1.942 694 HD21 ASN 43 HD21 ASN 43 17.383 0.900 -3.621 695 HD22 ASN 43 HD22 ASN 43 17.733 2.564 -3.948 696 H LEU 44 H LEU 44 13.406 0.223 -1.644 697 HA LEU 44 HA LEU 44 12.404 2.443 -3.165 698 HB2 LEU 44 HB2 LEU 44 11.628 -0.421 -2.791 699 HB3 LEU 44 HB3 LEU 44 10.475 0.679 -3.512 700 HG LEU 44 HG LEU 44 11.587 0.766 -5.493 701 HD11 LEU 44 HD11 LEU 44 14.075 0.459 -5.699 702 HD12 LEU 44 HD12 LEU 44 14.144 0.498 -3.935 703 HD13 LEU 44 HD13 LEU 44 13.549 1.901 -4.826 704 HD21 LEU 44 HD21 LEU 44 12.732 -1.757 -4.306 705 HD22 LEU 44 HD22 LEU 44 12.684 -1.369 -6.025 706 HD23 LEU 44 HD23 LEU 44 11.180 -1.590 -5.129 707 H LEU 45 H LEU 45 11.844 1.098 -0.053 708 HA LEU 45 HA LEU 45 9.287 2.279 0.391 709 HB2 LEU 45 HB2 LEU 45 9.963 0.275 1.621 710 HB3 LEU 45 HB3 LEU 45 11.425 1.051 2.127 711 HG LEU 45 HG LEU 45 9.574 0.747 3.846 712 HD11 LEU 45 HD11 LEU 45 11.508 2.787 3.273 713 HD12 LEU 45 HD12 LEU 45 11.107 2.022 4.823 714 HD13 LEU 45 HD13 LEU 45 10.193 3.429 4.269 715 HD21 LEU 45 HD21 LEU 45 8.594 3.195 2.408 716 HD22 LEU 45 HD22 LEU 45 7.930 2.515 3.894 717 HD23 LEU 45 HD23 LEU 45 7.805 1.624 2.378 718 H ALA 46 H ALA 46 12.669 2.935 1.070 719 HA ALA 46 HA ALA 46 12.451 5.393 2.389 720 HB1 ALA 46 HB1 ALA 46 14.521 4.145 2.359 721 HB2 ALA 46 HB2 ALA 46 14.798 5.735 1.646 722 HB3 ALA 46 HB3 ALA 46 14.643 4.314 0.607 723 H GLU 47 H GLU 47 12.731 4.601 -1.042 724 HA GLU 47 HA GLU 47 12.788 7.169 -2.121 725 HB2 GLU 47 HB2 GLU 47 13.185 5.103 -3.406 726 HB3 GLU 47 HB3 GLU 47 11.487 4.679 -3.243 727 HG2 GLU 47 HG2 GLU 47 11.804 5.562 -5.411 728 HG3 GLU 47 HG3 GLU 47 10.920 6.766 -4.472 729 H ALA 48 H ALA 48 9.990 5.058 -1.521 730 HA ALA 48 HA ALA 48 7.996 6.871 -2.258 731 HB1 ALA 48 HB1 ALA 48 6.515 5.494 -0.757 732 HB2 ALA 48 HB2 ALA 48 7.954 4.574 -0.315 733 HB3 ALA 48 HB3 ALA 48 7.399 4.589 -1.989 734 H LYS 49 H LYS 49 9.466 6.246 0.932 735 HA LYS 49 HA LYS 49 7.911 7.991 2.427 736 HB2 LYS 49 HB2 LYS 49 10.309 6.480 2.806 737 HB3 LYS 49 HB3 LYS 49 10.541 8.092 3.478 738 HG2 LYS 49 HG2 LYS 49 8.357 6.146 4.140 739 HG3 LYS 49 HG3 LYS 49 9.723 6.583 5.162 740 HD2 LYS 49 HD2 LYS 49 8.880 8.936 5.157 741 HD3 LYS 49 HD3 LYS 49 7.445 8.365 4.304 742 HE2 LYS 49 HE2 LYS 49 6.959 8.526 6.659 743 HE3 LYS 49 HE3 LYS 49 6.985 6.828 6.185 744 HZ1 LYS 49 HZ1 LYS 49 9.209 8.277 7.515 745 HZ2 LYS 49 HZ2 LYS 49 9.215 6.644 7.086 746 HZ3 LYS 49 HZ3 LYS 49 8.150 7.198 8.274 747 H LYS 50 H LYS 50 10.776 8.636 0.489 748 HA LYS 50 HA LYS 50 11.192 11.313 1.199 749 HB2 LYS 50 HB2 LYS 50 12.722 9.923 -0.199 750 HB3 LYS 50 HB3 LYS 50 11.576 10.054 -1.522 751 HG2 LYS 50 HG2 LYS 50 11.863 12.594 -1.241 752 HG3 LYS 50 HG3 LYS 50 13.309 12.173 -0.320 753 HD2 LYS 50 HD2 LYS 50 14.038 12.512 -2.537 754 HD3 LYS 50 HD3 LYS 50 13.992 10.761 -2.311 755 HE2 LYS 50 HE2 LYS 50 11.672 10.826 -3.317 756 HE3 LYS 50 HE3 LYS 50 12.004 12.497 -3.759 757 HZ1 LYS 50 HZ1 LYS 50 13.371 10.050 -4.710 758 HZ2 LYS 50 HZ2 LYS 50 14.018 11.600 -4.936 759 HZ3 LYS 50 HZ3 LYS 50 12.527 11.202 -5.622 760 H LEU 51 H LEU 51 9.227 9.888 -1.403 761 HA LEU 51 HA LEU 51 8.128 12.221 -2.449 762 HB2 LEU 51 HB2 LEU 51 8.056 9.607 -3.028 763 HB3 LEU 51 HB3 LEU 51 6.480 9.772 -2.284 764 HG LEU 51 HG LEU 51 7.395 11.471 -4.586 765 HD11 LEU 51 HD11 LEU 51 5.709 8.988 -4.636 766 HD12 LEU 51 HD12 LEU 51 7.419 9.051 -5.076 767 HD13 LEU 51 HD13 LEU 51 6.228 9.953 -6.024 768 HD21 LEU 51 HD21 LEU 51 4.991 11.856 -4.879 769 HD22 LEU 51 HD22 LEU 51 5.536 12.396 -3.290 770 HD23 LEU 51 HD23 LEU 51 4.661 10.874 -3.452 771 H ASN 52 H ASN 52 6.753 9.965 -0.045 772 HA ASN 52 HA ASN 52 4.451 11.326 0.613 773 HB2 ASN 52 HB2 ASN 52 4.965 9.098 1.460 774 HB3 ASN 52 HB3 ASN 52 6.271 9.749 2.445 775 HD21 ASN 52 HD21 ASN 52 5.794 10.789 4.354 776 HD22 ASN 52 HD22 ASN 52 4.210 10.801 5.048 777 H ASP 53 H ASP 53 7.736 11.945 1.726 778 HA ASP 53 HA ASP 53 6.953 13.913 3.657 779 HB2 ASP 53 HB2 ASP 53 8.997 12.756 4.082 780 HB3 ASP 53 HB3 ASP 53 9.618 13.134 2.479 781 H ALA 54 H ALA 54 7.988 13.922 0.339 782 HA ALA 54 HA ALA 54 8.384 16.724 0.102 783 HB1 ALA 54 HB1 ALA 54 9.438 15.169 -1.408 784 HB2 ALA 54 HB2 ALA 54 8.376 16.247 -2.318 785 HB3 ALA 54 HB3 ALA 54 7.864 14.599 -1.954 786 H GLN 55 H GLN 55 5.697 14.537 -0.509 787 HA GLN 55 HA GLN 55 4.006 16.722 -1.418 788 HB2 GLN 55 HB2 GLN 55 4.010 14.434 -2.497 789 HB3 GLN 55 HB3 GLN 55 3.267 13.813 -1.030 790 HG2 GLN 55 HG2 GLN 55 1.288 15.021 -1.393 791 HG3 GLN 55 HG3 GLN 55 2.041 16.045 -2.611 792 HE21 GLN 55 HE21 GLN 55 0.485 15.576 -4.128 793 HE22 GLN 55 HE22 GLN 55 0.389 14.045 -4.926 794 H ALA 56 H ALA 56 5.100 16.049 1.426 795 HA ALA 56 HA ALA 56 2.653 15.888 2.966 796 HB1 ALA 56 HB1 ALA 56 5.533 16.217 3.769 797 HB2 ALA 56 HB2 ALA 56 4.597 14.723 3.776 798 HB3 ALA 56 HB3 ALA 56 4.194 16.021 4.901 Start of MODEL 9 1 H GLN 10 H GLN 10 -15.369 9.148 10.592 2 HA GLN 10 HA GLN 10 -16.322 8.749 7.821 3 HB2 GLN 10 HB2 GLN 10 -13.724 9.757 8.927 4 HB3 GLN 10 HB3 GLN 10 -13.765 8.903 7.399 5 HG2 GLN 10 HG2 GLN 10 -13.798 11.265 6.998 6 HG3 GLN 10 HG3 GLN 10 -15.344 10.566 6.530 7 HE21 GLN 10 HE21 GLN 10 -16.463 12.478 6.708 8 HE22 GLN 10 HE22 GLN 10 -16.788 13.235 8.232 9 H ARG 11 H ARG 11 -14.665 7.188 6.809 10 HA ARG 11 HA ARG 11 -13.818 5.073 8.607 11 HB2 ARG 11 HB2 ARG 11 -15.009 3.342 7.423 12 HB3 ARG 11 HB3 ARG 11 -16.147 4.554 7.991 13 HG2 ARG 11 HG2 ARG 11 -16.614 5.321 5.898 14 HG3 ARG 11 HG3 ARG 11 -15.051 4.798 5.258 15 HD2 ARG 11 HD2 ARG 11 -16.912 3.427 4.406 16 HD3 ARG 11 HD3 ARG 11 -15.758 2.484 5.348 17 HE ARG 11 HE ARG 11 -17.387 2.682 7.224 18 HH11 ARG 11 HH11 ARG 11 -18.490 3.005 3.911 19 HH12 ARG 11 HH12 ARG 11 -20.093 2.443 4.261 20 HH21 ARG 11 HH21 ARG 11 -19.493 1.941 7.680 21 HH22 ARG 11 HH22 ARG 11 -20.661 1.832 6.404 22 H LEU 12 H LEU 12 -12.354 6.895 7.208 23 HA LEU 12 HA LEU 12 -11.523 5.908 4.650 24 HB2 LEU 12 HB2 LEU 12 -10.710 8.160 6.440 25 HB3 LEU 12 HB3 LEU 12 -9.652 7.690 5.128 26 HG LEU 12 HG LEU 12 -11.109 8.462 3.494 27 HD11 LEU 12 HD11 LEU 12 -13.496 8.934 3.865 28 HD12 LEU 12 HD12 LEU 12 -13.345 8.315 5.508 29 HD13 LEU 12 HD13 LEU 12 -13.096 7.239 4.135 30 HD21 LEU 12 HD21 LEU 12 -10.258 10.300 4.894 31 HD22 LEU 12 HD22 LEU 12 -11.741 10.220 5.852 32 HD23 LEU 12 HD23 LEU 12 -11.812 10.674 4.149 33 H ALA 13 H ALA 13 -9.437 5.066 4.144 34 HA ALA 13 HA ALA 13 -8.321 3.590 6.421 35 HB1 ALA 13 HB1 ALA 13 -9.326 2.312 4.499 36 HB2 ALA 13 HB2 ALA 13 -7.681 1.869 4.953 37 HB3 ALA 13 HB3 ALA 13 -7.963 2.872 3.528 38 H ASN 14 H ASN 14 -6.287 3.745 6.987 39 HA ASN 14 HA ASN 14 -4.462 5.417 5.406 40 HB2 ASN 14 HB2 ASN 14 -4.323 4.375 8.248 41 HB3 ASN 14 HB3 ASN 14 -2.979 5.183 7.459 42 HD21 ASN 14 HD21 ASN 14 -6.263 6.162 6.855 43 HD22 ASN 14 HD22 ASN 14 -6.183 7.658 7.718 44 H PHE 15 H PHE 15 -2.371 4.560 4.835 45 HA PHE 15 HA PHE 15 -2.414 1.626 4.660 46 HB2 PHE 15 HB2 PHE 15 -2.322 3.078 2.533 47 HB3 PHE 15 HB3 PHE 15 -0.665 3.444 3.017 48 HD1 PHE 15 HD1 PHE 15 1.075 1.822 2.828 49 HD2 PHE 15 HD2 PHE 15 -2.948 0.799 1.883 50 HE1 PHE 15 HE1 PHE 15 1.856 -0.256 1.771 51 HE2 PHE 15 HE2 PHE 15 -2.172 -1.281 0.822 52 HZ PHE 15 HZ PHE 15 0.232 -1.810 0.768 53 H LEU 16 H LEU 16 -1.370 0.936 6.449 54 HA LEU 16 HA LEU 16 1.160 2.227 7.138 55 HB2 LEU 16 HB2 LEU 16 0.956 1.432 9.298 56 HB3 LEU 16 HB3 LEU 16 -0.711 1.781 8.867 57 HG LEU 16 HG LEU 16 0.599 -0.929 9.005 58 HD11 LEU 16 HD11 LEU 16 -1.594 0.389 10.606 59 HD12 LEU 16 HD12 LEU 16 0.032 -0.015 11.166 60 HD13 LEU 16 HD13 LEU 16 -1.104 -1.303 10.763 61 HD21 LEU 16 HD21 LEU 16 -2.242 -0.310 8.256 62 HD22 LEU 16 HD22 LEU 16 -1.492 -1.904 8.403 63 HD23 LEU 16 HD23 LEU 16 -0.970 -0.797 7.133 64 H VAL 17 H VAL 17 2.957 0.774 7.736 65 HA VAL 17 HA VAL 17 2.831 -1.850 6.547 66 HB VAL 17 HB VAL 17 3.409 -0.699 4.598 67 HG11 VAL 17 HG11 VAL 17 3.906 1.453 5.641 68 HG12 VAL 17 HG12 VAL 17 5.065 1.000 4.392 69 HG13 VAL 17 HG13 VAL 17 5.495 0.835 6.094 70 HG21 VAL 17 HG21 VAL 17 4.817 -2.616 4.961 71 HG22 VAL 17 HG22 VAL 17 5.941 -1.632 5.895 72 HG23 VAL 17 HG23 VAL 17 5.748 -1.345 4.165 73 H HIS 18 H HIS 18 3.882 -3.241 7.674 74 HA HIS 18 HA HIS 18 5.815 -2.468 9.687 75 HB2 HIS 18 HB2 HIS 18 4.119 -4.315 9.990 76 HB3 HIS 18 HB3 HIS 18 4.993 -5.244 8.781 77 HD1 HIS 18 HD1 HIS 18 6.130 -7.060 10.050 78 HD2 HIS 18 HD2 HIS 18 6.428 -3.400 11.989 79 HE1 HIS 18 HE1 HIS 18 7.535 -7.487 12.089 80 HE2 HIS 18 HE2 HIS 18 7.487 -5.315 13.361 81 H SER 19 H SER 19 7.865 -2.167 9.185 82 HA SER 19 HA SER 19 8.647 -1.513 6.761 83 HB2 SER 19 HB2 SER 19 10.498 -2.630 8.852 84 HB3 SER 19 HB3 SER 19 10.980 -1.603 7.503 85 HG SER 19 HG SER 19 8.903 -0.634 9.067 86 H SER 20 H SER 20 9.193 -4.869 7.881 87 HA SER 20 HA SER 20 11.091 -5.293 5.778 88 HB2 SER 20 HB2 SER 20 11.192 -6.381 8.032 89 HB3 SER 20 HB3 SER 20 9.816 -7.369 7.554 90 HG SER 20 HG SER 20 11.037 -8.394 6.069 91 H ASN 21 H ASN 21 7.828 -6.692 6.407 92 HA ASN 21 HA ASN 21 7.765 -7.377 3.550 93 HB2 ASN 21 HB2 ASN 21 7.177 -9.276 5.818 94 HB3 ASN 21 HB3 ASN 21 6.779 -9.601 4.135 95 HD21 ASN 21 HD21 ASN 21 8.436 -10.007 2.666 96 HD22 ASN 21 HD22 ASN 21 10.032 -10.418 3.181 97 H ASN 22 H ASN 22 5.961 -6.525 6.413 98 HA ASN 22 HA ASN 22 3.466 -7.280 5.082 99 HB2 ASN 22 HB2 ASN 22 4.214 -6.868 7.951 100 HB3 ASN 22 HB3 ASN 22 2.527 -6.801 7.459 101 HD21 ASN 22 HD21 ASN 22 2.057 -8.613 8.698 102 HD22 ASN 22 HD22 ASN 22 2.517 -10.205 8.208 103 H PHE 23 H PHE 23 3.336 -5.438 3.686 104 HA PHE 23 HA PHE 23 2.623 -2.943 4.922 105 HB2 PHE 23 HB2 PHE 23 1.858 -2.442 2.526 106 HB3 PHE 23 HB3 PHE 23 3.575 -2.614 2.809 107 HD1 PHE 23 HD1 PHE 23 0.686 -3.828 1.009 108 HD2 PHE 23 HD2 PHE 23 4.687 -4.767 2.138 109 HE1 PHE 23 HE1 PHE 23 0.783 -5.534 -0.754 110 HE2 PHE 23 HE2 PHE 23 4.785 -6.475 0.370 111 HZ PHE 23 HZ PHE 23 2.832 -6.858 -1.078 112 H GLY 24 H GLY 24 0.532 -2.168 5.192 113 HA2 GLY 24 HA2 GLY 24 -1.635 -4.027 4.521 114 HA3 GLY 24 HA3 GLY 24 -1.341 -3.722 6.224 115 H ALA 25 H ALA 25 -3.493 -2.992 6.308 116 HA ALA 25 HA ALA 25 -3.803 -0.223 5.499 117 HB1 ALA 25 HB1 ALA 25 -4.951 -1.415 3.764 118 HB2 ALA 25 HB2 ALA 25 -6.164 -0.713 4.839 119 HB3 ALA 25 HB3 ALA 25 -5.776 -2.436 4.952 120 H ILE 26 H ILE 26 -5.598 0.816 6.667 121 HA ILE 26 HA ILE 26 -6.620 -0.504 8.999 122 HB ILE 26 HB ILE 26 -4.452 -0.015 9.871 123 HG12 ILE 26 HG12 ILE 26 -6.386 2.071 10.899 124 HG13 ILE 26 HG13 ILE 26 -6.504 0.354 11.277 125 HG21 ILE 26 HG21 ILE 26 -4.943 2.846 9.066 126 HG22 ILE 26 HG22 ILE 26 -3.797 1.743 8.306 127 HG23 ILE 26 HG23 ILE 26 -3.557 2.255 9.978 128 HD11 ILE 26 HD11 ILE 26 -4.113 0.589 12.106 129 HD12 ILE 26 HD12 ILE 26 -5.420 1.248 13.088 130 HD13 ILE 26 HD13 ILE 26 -4.432 2.323 12.099 131 H LEU 27 H LEU 27 -8.511 0.369 9.543 132 HA LEU 27 HA LEU 27 -9.371 2.663 8.011 133 HB2 LEU 27 HB2 LEU 27 -10.818 0.590 9.599 134 HB3 LEU 27 HB3 LEU 27 -11.618 2.071 9.109 135 HG LEU 27 HG LEU 27 -10.360 0.048 7.263 136 HD11 LEU 27 HD11 LEU 27 -13.222 0.839 7.704 137 HD12 LEU 27 HD12 LEU 27 -12.481 -0.668 8.256 138 HD13 LEU 27 HD13 LEU 27 -12.631 -0.334 6.524 139 HD21 LEU 27 HD21 LEU 27 -11.705 2.687 6.779 140 HD22 LEU 27 HD22 LEU 27 -11.531 1.450 5.530 141 HD23 LEU 27 HD23 LEU 27 -10.096 2.172 6.269 142 H SER 28 H SER 28 -10.611 4.332 8.926 143 HA SER 28 HA SER 28 -9.851 5.015 11.675 144 HB2 SER 28 HB2 SER 28 -8.139 5.927 10.058 145 HB3 SER 28 HB3 SER 28 -9.427 6.895 9.348 146 HG SER 28 HG SER 28 -7.945 7.672 11.250 147 H SER 29 H SER 29 -11.172 6.599 12.606 148 HA SER 29 HA SER 29 -13.768 6.867 11.243 149 HB2 SER 29 HB2 SER 29 -13.195 6.658 14.210 150 HB3 SER 29 HB3 SER 29 -14.791 6.825 13.484 151 HG SER 29 HG SER 29 -14.060 4.626 14.046 152 H THR 30 H THR 30 -11.862 8.359 13.831 153 HA THR 30 HA THR 30 -11.649 10.464 14.599 154 HB THR 30 HB THR 30 -11.310 12.254 12.855 155 HG1 THR 30 HG1 THR 30 -12.703 10.906 11.301 156 HG21 THR 30 HG21 THR 30 -9.457 10.936 13.730 157 HG22 THR 30 HG22 THR 30 -9.222 11.279 12.017 158 HG23 THR 30 HG23 THR 30 -9.767 9.682 12.529 159 H GLY 13 H GLY 13 13.758 -7.371 13.362 160 HA2 GLY 13 HA2 GLY 13 12.078 -5.908 14.246 161 HA3 GLY 13 HA3 GLY 13 13.501 -5.002 13.756 162 H GLY 14 H GLY 14 12.826 -3.100 12.994 163 HA2 GLY 14 HA2 GLY 14 12.021 -1.787 11.217 164 HA3 GLY 14 HA3 GLY 14 11.003 -3.129 10.716 165 H GLU 15 H GLU 15 10.290 -0.344 11.060 166 HA GLU 15 HA GLU 15 8.479 -0.433 13.368 167 HB2 GLU 15 HB2 GLU 15 8.260 1.993 13.017 168 HB3 GLU 15 HB3 GLU 15 9.944 1.525 13.214 169 HG2 GLU 15 HG2 GLU 15 10.046 1.474 10.668 170 HG3 GLU 15 HG3 GLU 15 8.514 2.332 10.710 171 H ILE 16 H ILE 16 6.273 0.419 13.019 172 HA ILE 16 HA ILE 16 5.258 -0.292 10.358 173 HB ILE 16 HB ILE 16 3.746 0.064 12.949 174 HG12 ILE 16 HG12 ILE 16 4.405 -2.461 11.428 175 HG13 ILE 16 HG13 ILE 16 5.290 -1.899 12.841 176 HG21 ILE 16 HG21 ILE 16 2.835 -0.933 10.250 177 HG22 ILE 16 HG22 ILE 16 2.378 0.595 11.003 178 HG23 ILE 16 HG23 ILE 16 1.867 -0.932 11.723 179 HD11 ILE 16 HD11 ILE 16 2.388 -2.655 12.758 180 HD12 ILE 16 HD12 ILE 16 3.266 -2.079 14.176 181 HD13 ILE 16 HD13 ILE 16 3.704 -3.617 13.429 182 H VAL 17 H VAL 17 5.284 1.446 9.092 183 HA VAL 17 HA VAL 17 4.578 4.039 10.240 184 HB VAL 17 HB VAL 17 5.265 4.781 7.806 185 HG11 VAL 17 HG11 VAL 17 6.349 5.388 9.961 186 HG12 VAL 17 HG12 VAL 17 7.497 5.196 8.639 187 HG13 VAL 17 HG13 VAL 17 7.323 3.922 9.846 188 HG21 VAL 17 HG21 VAL 17 7.109 3.426 6.931 189 HG22 VAL 17 HG22 VAL 17 5.566 2.570 6.889 190 HG23 VAL 17 HG23 VAL 17 6.752 2.185 8.136 191 H TYR 18 H TYR 18 2.735 4.949 9.912 192 HA TYR 18 HA TYR 18 0.803 3.904 8.013 193 HB2 TYR 18 HB2 TYR 18 0.582 6.203 9.973 194 HB3 TYR 18 HB3 TYR 18 -0.741 5.524 9.038 195 HD1 TYR 18 HD1 TYR 18 1.630 4.851 11.798 196 HD2 TYR 18 HD2 TYR 18 -1.899 3.590 9.785 197 HE1 TYR 18 HE1 TYR 18 1.126 3.313 13.649 198 HE2 TYR 18 HE2 TYR 18 -2.413 2.063 11.622 199 HH TYR 18 HH TYR 18 -0.913 2.204 14.617 200 H LEU 19 H LEU 19 1.028 4.615 5.935 201 HA LEU 19 HA LEU 19 1.705 7.447 5.535 202 HB2 LEU 19 HB2 LEU 19 1.685 5.214 3.521 203 HB3 LEU 19 HB3 LEU 19 2.206 6.837 3.230 204 HG LEU 19 HG LEU 19 4.115 5.556 3.372 205 HD11 LEU 19 HD11 LEU 19 5.239 6.454 5.308 206 HD12 LEU 19 HD12 LEU 19 3.670 6.845 6.016 207 HD13 LEU 19 HD13 LEU 19 4.187 7.637 4.527 208 HD21 LEU 19 HD21 LEU 19 3.143 4.377 5.960 209 HD22 LEU 19 HD22 LEU 19 4.649 3.994 5.125 210 HD23 LEU 19 HD23 LEU 19 3.099 3.561 4.397 211 HA PRO 20 HA PRO 20 -2.742 7.338 4.512 212 HB2 PRO 20 HB2 PRO 20 -3.509 9.487 5.902 213 HB3 PRO 20 HB3 PRO 20 -3.174 7.945 6.695 214 HG2 PRO 20 HG2 PRO 20 -1.548 10.428 6.620 215 HG3 PRO 20 HG3 PRO 20 -1.674 9.203 7.893 216 HD2 PRO 20 HD2 PRO 20 0.371 9.437 5.949 217 HD3 PRO 20 HD3 PRO 20 0.122 8.091 7.077 218 H ASN 21 H ASN 21 -0.321 9.712 3.936 219 HA ASN 21 HA ASN 21 -2.175 11.433 2.453 220 HB2 ASN 21 HB2 ASN 21 0.708 11.974 3.178 221 HB3 ASN 21 HB3 ASN 21 -0.441 13.125 2.509 222 HD21 ASN 21 HD21 ASN 21 -2.061 13.957 3.824 223 HD22 ASN 21 HD22 ASN 21 -1.980 13.846 5.546 224 H LEU 22 H LEU 22 -0.346 8.834 1.770 225 HA LEU 22 HA LEU 22 1.233 9.709 -0.407 226 HB2 LEU 22 HB2 LEU 22 0.181 6.989 0.323 227 HB3 LEU 22 HB3 LEU 22 1.204 7.270 -1.072 228 HG LEU 22 HG LEU 22 1.958 7.735 1.806 229 HD11 LEU 22 HD11 LEU 22 1.896 5.385 1.193 230 HD12 LEU 22 HD12 LEU 22 3.563 5.926 1.373 231 HD13 LEU 22 HD13 LEU 22 2.875 5.715 -0.235 232 HD21 LEU 22 HD21 LEU 22 3.671 8.028 -0.642 233 HD22 LEU 22 HD22 LEU 22 4.126 8.300 1.048 234 HD23 LEU 22 HD23 LEU 22 2.962 9.371 0.260 235 H ASN 23 H ASN 23 0.828 10.004 -2.442 236 HA ASN 23 HA ASN 23 -1.814 10.002 -3.511 237 HB2 ASN 23 HB2 ASN 23 -0.120 11.502 -4.409 238 HB3 ASN 23 HB3 ASN 23 0.920 10.144 -4.820 239 HD21 ASN 23 HD21 ASN 23 1.056 10.646 -6.965 240 HD22 ASN 23 HD22 ASN 23 -0.277 10.506 -8.058 241 HA PRO 24 HA PRO 24 -2.512 5.642 -4.123 242 HB2 PRO 24 HB2 PRO 24 -3.474 6.674 -6.771 243 HB3 PRO 24 HB3 PRO 24 -4.202 5.457 -5.714 244 HG2 PRO 24 HG2 PRO 24 -5.113 7.962 -5.725 245 HG3 PRO 24 HG3 PRO 24 -4.998 7.039 -4.217 246 HD2 PRO 24 HD2 PRO 24 -3.357 9.310 -5.163 247 HD3 PRO 24 HD3 PRO 24 -3.664 8.750 -3.508 248 H ASP 25 H ASP 25 -1.349 7.363 -7.026 249 HA ASP 25 HA ASP 25 -0.148 5.216 -8.321 250 HB2 ASP 25 HB2 ASP 25 -0.511 7.329 -9.447 251 HB3 ASP 25 HB3 ASP 25 0.606 8.144 -8.357 252 H GLN 26 H GLN 26 1.024 7.148 -5.668 253 HA GLN 26 HA GLN 26 3.759 6.374 -5.884 254 HB2 GLN 26 HB2 GLN 26 2.171 7.582 -3.624 255 HB3 GLN 26 HB3 GLN 26 3.903 7.265 -3.533 256 HG2 GLN 26 HG2 GLN 26 4.298 8.753 -5.397 257 HG3 GLN 26 HG3 GLN 26 2.565 9.038 -5.564 258 HE21 GLN 26 HE21 GLN 26 4.775 10.883 -5.033 259 HE22 GLN 26 HE22 GLN 26 4.357 11.705 -3.570 260 H LEU 27 H LEU 27 1.022 5.220 -3.901 261 HA LEU 27 HA LEU 27 2.403 3.165 -2.602 262 HB2 LEU 27 HB2 LEU 27 -0.486 3.365 -3.457 263 HB3 LEU 27 HB3 LEU 27 0.142 2.011 -2.542 264 HG LEU 27 HG LEU 27 0.210 4.877 -1.616 265 HD11 LEU 27 HD11 LEU 27 -2.064 3.858 -1.823 266 HD12 LEU 27 HD12 LEU 27 -1.612 4.358 -0.194 267 HD13 LEU 27 HD13 LEU 27 -1.560 2.651 -0.639 268 HD21 LEU 27 HD21 LEU 27 1.994 3.583 -0.680 269 HD22 LEU 27 HD22 LEU 27 0.887 2.266 -0.288 270 HD23 LEU 27 HD23 LEU 27 0.752 3.812 0.552 271 H CYS 28 H CYS 28 0.800 3.255 -5.745 272 HA CYS 28 HA CYS 28 1.205 0.620 -6.542 273 HB2 CYS 28 HB2 CYS 28 1.401 3.068 -8.307 274 HB3 CYS 28 HB3 CYS 28 1.006 1.431 -8.819 275 H ALA 29 H ALA 29 3.386 3.390 -6.625 276 HA ALA 29 HA ALA 29 5.445 1.991 -8.063 277 HB1 ALA 29 HB1 ALA 29 5.160 4.394 -8.328 278 HB2 ALA 29 HB2 ALA 29 6.765 4.022 -7.702 279 HB3 ALA 29 HB3 ALA 29 5.516 4.639 -6.619 280 H PHE 30 H PHE 30 4.989 3.082 -4.714 281 HA PHE 30 HA PHE 30 7.502 2.280 -3.754 282 HB2 PHE 30 HB2 PHE 30 6.525 3.745 -2.305 283 HB3 PHE 30 HB3 PHE 30 4.907 3.122 -2.595 284 HD1 PHE 30 HD1 PHE 30 3.871 1.865 -1.001 285 HD2 PHE 30 HD2 PHE 30 8.106 2.218 -0.906 286 HE1 PHE 30 HE1 PHE 30 3.915 0.670 1.154 287 HE2 PHE 30 HE2 PHE 30 8.162 1.021 1.244 288 HZ PHE 30 HZ PHE 30 6.066 0.246 2.277 289 H ILE 31 H ILE 31 4.355 0.627 -3.667 290 HA ILE 31 HA ILE 31 5.316 -1.655 -2.298 291 HB ILE 31 HB ILE 31 2.881 -1.307 -4.044 292 HG12 ILE 31 HG12 ILE 31 3.061 -1.439 -1.032 293 HG13 ILE 31 HG13 ILE 31 3.143 0.078 -1.919 294 HG21 ILE 31 HG21 ILE 31 3.695 -3.580 -2.245 295 HG22 ILE 31 HG22 ILE 31 3.346 -3.641 -3.974 296 HG23 ILE 31 HG23 ILE 31 2.050 -3.332 -2.821 297 HD11 ILE 31 HD11 ILE 31 0.926 -0.252 -2.778 298 HD12 ILE 31 HD12 ILE 31 0.908 -0.415 -1.021 299 HD13 ILE 31 HD13 ILE 31 0.844 -1.853 -2.042 300 H HIS 32 H HIS 32 5.130 -0.753 -5.640 301 HA HIS 32 HA HIS 32 5.823 -3.290 -6.725 302 HB2 HIS 32 HB2 HIS 32 4.764 -1.422 -8.022 303 HB3 HIS 32 HB3 HIS 32 6.298 -0.564 -7.947 304 HD1 HIS 32 HD1 HIS 32 7.426 -0.729 -10.126 305 HD2 HIS 32 HD2 HIS 32 5.447 -4.248 -9.148 306 HE1 HIS 32 HE1 HIS 32 7.867 -2.308 -12.035 307 HE2 HIS 32 HE2 HIS 32 6.490 -4.352 -11.511 308 H SER 33 H SER 33 7.609 -0.525 -5.535 309 HA SER 33 HA SER 33 10.165 -1.350 -6.440 310 HB2 SER 33 HB2 SER 33 9.444 0.470 -4.129 311 HB3 SER 33 HB3 SER 33 11.038 0.329 -4.871 312 HG SER 33 HG SER 33 8.693 1.088 -6.287 313 H ILE 34 H ILE 34 8.250 -2.092 -3.605 314 HA ILE 34 HA ILE 34 10.315 -3.328 -2.089 315 HB ILE 34 HB ILE 34 7.337 -3.869 -2.036 316 HG12 ILE 34 HG12 ILE 34 7.875 -1.514 -1.562 317 HG13 ILE 34 HG13 ILE 34 7.294 -2.331 -0.115 318 HG21 ILE 34 HG21 ILE 34 7.743 -4.748 0.223 319 HG22 ILE 34 HG22 ILE 34 9.477 -4.515 -0.004 320 HG23 ILE 34 HG23 ILE 34 8.605 -5.672 -1.008 321 HD11 ILE 34 HD11 ILE 34 9.155 -0.869 0.400 322 HD12 ILE 34 HD12 ILE 34 10.168 -1.715 -0.769 323 HD13 ILE 34 HD13 ILE 34 9.598 -2.553 0.674 324 H HIS 35 H HIS 35 7.972 -4.480 -4.437 325 HA HIS 35 HA HIS 35 8.706 -7.234 -4.189 326 HB2 HIS 35 HB2 HIS 35 6.476 -6.236 -4.983 327 HB3 HIS 35 HB3 HIS 35 7.278 -5.997 -6.532 328 HD1 HIS 35 HD1 HIS 35 7.207 -7.920 -8.113 329 HD2 HIS 35 HD2 HIS 35 6.444 -9.080 -4.194 330 HE1 HIS 35 HE1 HIS 35 6.559 -10.343 -8.239 331 HE2 HIS 35 HE2 HIS 35 6.226 -11.059 -5.847 332 H ASP 36 H ASP 36 9.716 -4.528 -6.085 333 HA ASP 36 HA ASP 36 11.239 -6.069 -7.980 334 HB2 ASP 36 HB2 ASP 36 10.336 -3.942 -8.692 335 HB3 ASP 36 HB3 ASP 36 11.147 -3.109 -7.370 336 H ASP 37 H ASP 37 12.031 -3.889 -5.271 337 HA ASP 37 HA ASP 37 14.627 -5.266 -5.075 338 HB2 ASP 37 HB2 ASP 37 14.536 -2.779 -5.935 339 HB3 ASP 37 HB3 ASP 37 14.341 -2.406 -4.220 340 HA PRO 38 HA PRO 38 12.388 -5.738 -1.094 341 HB2 PRO 38 HB2 PRO 38 13.299 -8.220 -0.551 342 HB3 PRO 38 HB3 PRO 38 11.942 -7.923 -1.637 343 HG2 PRO 38 HG2 PRO 38 14.803 -8.476 -2.306 344 HG3 PRO 38 HG3 PRO 38 13.335 -9.137 -3.049 345 HD2 PRO 38 HD2 PRO 38 14.753 -7.104 -4.150 346 HD3 PRO 38 HD3 PRO 38 12.996 -7.265 -4.344 347 H SER 39 H SER 39 15.714 -6.025 -1.985 348 HA SER 39 HA SER 39 16.768 -6.253 0.656 349 HB2 SER 39 HB2 SER 39 18.183 -5.253 -1.825 350 HB3 SER 39 HB3 SER 39 18.927 -5.928 -0.376 351 HG SER 39 HG SER 39 18.218 -7.240 -2.511 352 H GLN 40 H GLN 40 16.252 -3.549 -1.585 353 HA GLN 40 HA GLN 40 17.294 -1.629 0.267 354 HB2 GLN 40 HB2 GLN 40 15.807 -1.258 -2.329 355 HB3 GLN 40 HB3 GLN 40 16.534 0.036 -1.391 356 HG2 GLN 40 HG2 GLN 40 18.670 -1.400 -1.603 357 HG3 GLN 40 HG3 GLN 40 17.835 -2.111 -2.974 358 HE21 GLN 40 HE21 GLN 40 19.281 0.764 -1.675 359 HE22 GLN 40 HE22 GLN 40 19.339 1.651 -3.158 360 H SER 41 H SER 41 14.465 -3.282 0.301 361 HA SER 41 HA SER 41 12.312 -1.688 0.383 362 HB2 SER 41 HB2 SER 41 11.447 -3.152 2.260 363 HB3 SER 41 HB3 SER 41 12.055 -4.004 0.841 364 HG SER 41 HG SER 41 13.545 -4.878 2.028 365 H ALA 42 H ALA 42 14.667 -1.883 3.039 366 HA ALA 42 HA ALA 42 13.452 -0.310 4.957 367 HB1 ALA 42 HB1 ALA 42 16.377 -0.303 4.237 368 HB2 ALA 42 HB2 ALA 42 15.583 -1.515 5.247 369 HB3 ALA 42 HB3 ALA 42 15.676 0.161 5.787 370 H ASN 43 H ASN 43 15.335 0.696 2.165 371 HA ASN 43 HA ASN 43 15.104 3.509 2.735 372 HB2 ASN 43 HB2 ASN 43 17.071 2.736 1.558 373 HB3 ASN 43 HB3 ASN 43 16.082 2.003 0.300 374 HD21 ASN 43 HD21 ASN 43 17.315 4.973 1.608 375 HD22 ASN 43 HD22 ASN 43 16.929 5.968 0.248 376 H LEU 44 H LEU 44 13.510 1.156 0.641 377 HA LEU 44 HA LEU 44 12.087 3.026 -0.902 378 HB2 LEU 44 HB2 LEU 44 11.659 0.119 -0.339 379 HB3 LEU 44 HB3 LEU 44 10.452 1.032 -1.218 380 HG LEU 44 HG LEU 44 11.661 0.138 -2.954 381 HD11 LEU 44 HD11 LEU 44 12.998 1.837 -3.970 382 HD12 LEU 44 HD12 LEU 44 13.270 2.617 -2.413 383 HD13 LEU 44 HD13 LEU 44 11.653 2.605 -3.120 384 HD21 LEU 44 HD21 LEU 44 14.073 -0.185 -2.994 385 HD22 LEU 44 HD22 LEU 44 13.331 -0.997 -1.618 386 HD23 LEU 44 HD23 LEU 44 14.200 0.520 -1.383 387 H LEU 45 H LEU 45 11.296 1.524 2.227 388 HA LEU 45 HA LEU 45 8.718 2.873 2.158 389 HB2 LEU 45 HB2 LEU 45 8.054 1.655 3.948 390 HB3 LEU 45 HB3 LEU 45 9.294 0.585 3.332 391 HG LEU 45 HG LEU 45 10.064 2.564 5.426 392 HD11 LEU 45 HD11 LEU 45 8.051 1.736 6.368 393 HD12 LEU 45 HD12 LEU 45 9.375 0.854 7.133 394 HD13 LEU 45 HD13 LEU 45 8.416 0.090 5.863 395 HD21 LEU 45 HD21 LEU 45 10.810 -0.307 4.879 396 HD22 LEU 45 HD22 LEU 45 11.516 0.727 6.120 397 HD23 LEU 45 HD23 LEU 45 11.749 1.112 4.415 398 H ALA 46 H ALA 46 11.900 3.533 3.185 399 HA ALA 46 HA ALA 46 11.442 5.610 5.037 400 HB1 ALA 46 HB1 ALA 46 13.616 5.451 2.946 401 HB2 ALA 46 HB2 ALA 46 13.669 4.632 4.514 402 HB3 ALA 46 HB3 ALA 46 13.651 6.395 4.442 403 H GLU 47 H GLU 47 11.516 5.447 1.554 404 HA GLU 47 HA GLU 47 11.204 8.150 0.928 405 HB2 GLU 47 HB2 GLU 47 10.154 5.728 -0.548 406 HB3 GLU 47 HB3 GLU 47 10.390 7.335 -1.232 407 HG2 GLU 47 HG2 GLU 47 12.589 5.696 -0.028 408 HG3 GLU 47 HG3 GLU 47 12.170 5.680 -1.748 409 H ALA 48 H ALA 48 8.801 5.589 1.327 410 HA ALA 48 HA ALA 48 6.494 7.009 0.826 411 HB1 ALA 48 HB1 ALA 48 6.735 4.932 2.990 412 HB2 ALA 48 HB2 ALA 48 6.693 4.554 1.268 413 HB3 ALA 48 HB3 ALA 48 5.307 5.337 2.033 414 H LYS 49 H LYS 49 8.397 6.915 3.784 415 HA LYS 49 HA LYS 49 6.581 8.290 5.454 416 HB2 LYS 49 HB2 LYS 49 9.594 8.237 5.655 417 HB3 LYS 49 HB3 LYS 49 8.474 8.619 6.947 418 HG2 LYS 49 HG2 LYS 49 7.666 6.361 6.957 419 HG3 LYS 49 HG3 LYS 49 8.670 5.947 5.571 420 HD2 LYS 49 HD2 LYS 49 10.648 6.679 7.014 421 HD3 LYS 49 HD3 LYS 49 9.524 6.636 8.371 422 HE2 LYS 49 HE2 LYS 49 9.036 4.274 7.851 423 HE3 LYS 49 HE3 LYS 49 10.227 4.336 6.554 424 HZ1 LYS 49 HZ1 LYS 49 11.895 4.939 8.269 425 HZ2 LYS 49 HZ2 LYS 49 11.255 3.388 8.455 426 HZ3 LYS 49 HZ3 LYS 49 10.728 4.646 9.462 427 H LYS 50 H LYS 50 9.136 9.395 3.289 428 HA LYS 50 HA LYS 50 8.817 12.165 4.051 429 HB2 LYS 50 HB2 LYS 50 10.997 11.338 3.284 430 HB3 LYS 50 HB3 LYS 50 10.298 10.900 1.732 431 HG2 LYS 50 HG2 LYS 50 9.781 13.278 1.330 432 HG3 LYS 50 HG3 LYS 50 10.583 13.681 2.848 433 HD2 LYS 50 HD2 LYS 50 12.669 12.722 1.987 434 HD3 LYS 50 HD3 LYS 50 11.860 12.347 0.464 435 HE2 LYS 50 HE2 LYS 50 11.414 14.732 0.127 436 HE3 LYS 50 HE3 LYS 50 12.244 15.096 1.637 437 HZ1 LYS 50 HZ1 LYS 50 13.701 15.452 -0.236 438 HZ2 LYS 50 HZ2 LYS 50 13.464 13.867 -0.773 439 HZ3 LYS 50 HZ3 LYS 50 14.271 14.152 0.683 440 H LEU 51 H LEU 51 7.801 10.020 1.491 441 HA LEU 51 HA LEU 51 6.772 11.824 -0.343 442 HB2 LEU 51 HB2 LEU 51 6.567 8.985 0.269 443 HB3 LEU 51 HB3 LEU 51 5.127 9.622 -0.473 444 HG LEU 51 HG LEU 51 6.506 10.420 -2.368 445 HD11 LEU 51 HD11 LEU 51 8.781 9.640 -2.639 446 HD12 LEU 51 HD12 LEU 51 8.722 8.826 -1.075 447 HD13 LEU 51 HD13 LEU 51 8.659 10.589 -1.158 448 HD21 LEU 51 HD21 LEU 51 6.809 7.481 -1.808 449 HD22 LEU 51 HD22 LEU 51 6.735 8.263 -3.389 450 HD23 LEU 51 HD23 LEU 51 5.313 8.248 -2.342 451 H ASN 52 H ASN 52 5.097 10.154 2.358 452 HA ASN 52 HA ASN 52 2.617 11.444 1.820 453 HB2 ASN 52 HB2 ASN 52 1.742 10.256 3.586 454 HB3 ASN 52 HB3 ASN 52 3.149 9.268 3.224 455 HD21 ASN 52 HD21 ASN 52 1.682 11.464 5.475 456 HD22 ASN 52 HD22 ASN 52 2.820 11.226 6.755 457 H ASP 53 H ASP 53 5.401 12.254 3.771 458 HA ASP 53 HA ASP 53 4.144 14.311 5.285 459 HB2 ASP 53 HB2 ASP 53 6.234 13.292 6.043 460 HB3 ASP 53 HB3 ASP 53 7.069 13.899 4.617 461 H ALA 54 H ALA 54 5.774 14.194 2.185 462 HA ALA 54 HA ALA 54 5.937 16.998 1.777 463 HB1 ALA 54 HB1 ALA 54 7.309 15.396 0.531 464 HB2 ALA 54 HB2 ALA 54 6.385 16.437 -0.550 465 HB3 ALA 54 HB3 ALA 54 5.862 14.778 -0.265 466 H GLN 55 H GLN 55 3.381 14.717 1.527 467 HA GLN 55 HA GLN 55 1.681 16.755 0.250 468 HB2 GLN 55 HB2 GLN 55 2.139 14.732 -1.151 469 HB3 GLN 55 HB3 GLN 55 1.356 13.752 0.075 470 HG2 GLN 55 HG2 GLN 55 -0.751 14.763 -0.348 471 HG3 GLN 55 HG3 GLN 55 -0.019 15.998 -1.372 472 HE21 GLN 55 HE21 GLN 55 -1.359 15.435 -3.092 473 HE22 GLN 55 HE22 GLN 55 -1.109 13.996 -4.013 474 H ALA 56 H ALA 56 2.309 16.374 3.068 475 HA ALA 56 HA ALA 56 -0.089 15.276 4.257 476 HB1 ALA 56 HB1 ALA 56 2.449 16.477 5.288 477 HB2 ALA 56 HB2 ALA 56 1.852 14.827 5.479 478 HB3 ALA 56 HB3 ALA 56 1.088 16.151 6.363 479 H GLY 13 H GLY 13 -14.291 0.456 13.315 480 HA2 GLY 13 HA2 GLY 13 -12.886 2.387 11.565 481 HA3 GLY 13 HA3 GLY 13 -13.929 2.807 12.917 482 H GLY 14 H GLY 14 -10.796 1.779 11.927 483 HA2 GLY 14 HA2 GLY 14 -8.971 2.514 13.379 484 HA3 GLY 14 HA3 GLY 14 -9.936 1.996 14.753 485 H GLU 15 H GLU 15 -10.429 -0.312 12.485 486 HA GLU 15 HA GLU 15 -8.627 -2.117 13.817 487 HB2 GLU 15 HB2 GLU 15 -9.593 -3.837 12.295 488 HB3 GLU 15 HB3 GLU 15 -10.760 -3.008 13.289 489 HG2 GLU 15 HG2 GLU 15 -10.226 -2.205 10.480 490 HG3 GLU 15 HG3 GLU 15 -11.364 -3.483 10.871 491 H ILE 16 H ILE 16 -7.120 -3.430 12.806 492 HA ILE 16 HA ILE 16 -5.722 -2.027 10.625 493 HB ILE 16 HB ILE 16 -4.519 -4.035 12.534 494 HG12 ILE 16 HG12 ILE 16 -4.772 -1.040 12.718 495 HG13 ILE 16 HG13 ILE 16 -5.199 -2.242 13.924 496 HG21 ILE 16 HG21 ILE 16 -3.307 -3.771 10.450 497 HG22 ILE 16 HG22 ILE 16 -2.397 -3.047 11.775 498 HG23 ILE 16 HG23 ILE 16 -3.290 -2.020 10.655 499 HD11 ILE 16 HD11 ILE 16 -3.214 -1.052 14.584 500 HD12 ILE 16 HD12 ILE 16 -2.421 -1.482 13.068 501 HD13 ILE 16 HD13 ILE 16 -2.818 -2.736 14.244 502 H VAL 17 H VAL 17 -5.334 -3.055 8.724 503 HA VAL 17 HA VAL 17 -6.176 -5.881 8.575 504 HB VAL 17 HB VAL 17 -7.017 -3.679 6.682 505 HG11 VAL 17 HG11 VAL 17 -7.607 -6.614 6.735 506 HG12 VAL 17 HG12 VAL 17 -6.895 -5.651 5.438 507 HG13 VAL 17 HG13 VAL 17 -8.596 -5.451 5.852 508 HG21 VAL 17 HG21 VAL 17 -8.184 -3.416 8.743 509 HG22 VAL 17 HG22 VAL 17 -8.597 -5.130 8.779 510 HG23 VAL 17 HG23 VAL 17 -9.282 -4.083 7.537 511 H TYR 18 H TYR 18 -4.060 -6.618 8.292 512 HA TYR 18 HA TYR 18 -2.307 -5.363 6.366 513 HB2 TYR 18 HB2 TYR 18 -2.011 -7.707 8.217 514 HB3 TYR 18 HB3 TYR 18 -0.824 -7.398 6.956 515 HD1 TYR 18 HD1 TYR 18 0.238 -5.043 6.924 516 HD2 TYR 18 HD2 TYR 18 -1.805 -6.664 10.280 517 HE1 TYR 18 HE1 TYR 18 1.396 -3.444 8.391 518 HE2 TYR 18 HE2 TYR 18 -0.655 -5.072 11.752 519 HH TYR 18 HH TYR 18 1.057 -2.395 10.587 520 H LEU 19 H LEU 19 -2.032 -5.889 4.316 521 HA LEU 19 HA LEU 19 -3.003 -8.494 3.372 522 HB2 LEU 19 HB2 LEU 19 -3.650 -5.765 2.310 523 HB3 LEU 19 HB3 LEU 19 -3.593 -7.122 1.210 524 HG LEU 19 HG LEU 19 -5.316 -8.259 2.601 525 HD11 LEU 19 HD11 LEU 19 -5.548 -5.581 3.942 526 HD12 LEU 19 HD12 LEU 19 -4.896 -7.041 4.688 527 HD13 LEU 19 HD13 LEU 19 -6.585 -6.988 4.187 528 HD21 LEU 19 HD21 LEU 19 -7.159 -6.772 1.875 529 HD22 LEU 19 HD22 LEU 19 -5.977 -7.140 0.614 530 HD23 LEU 19 HD23 LEU 19 -5.943 -5.569 1.429 531 HA PRO 20 HA PRO 20 1.291 -7.661 1.882 532 HB2 PRO 20 HB2 PRO 20 2.469 -9.880 2.816 533 HB3 PRO 20 HB3 PRO 20 2.162 -8.484 3.858 534 HG2 PRO 20 HG2 PRO 20 0.651 -11.053 3.635 535 HG3 PRO 20 HG3 PRO 20 1.058 -10.114 5.081 536 HD2 PRO 20 HD2 PRO 20 -1.392 -10.054 3.806 537 HD3 PRO 20 HD3 PRO 20 -0.770 -8.768 4.858 538 H ASN 21 H ASN 21 -1.108 -9.950 1.269 539 HA ASN 21 HA ASN 21 0.445 -11.500 -0.645 540 HB2 ASN 21 HB2 ASN 21 -1.203 -12.653 0.775 541 HB3 ASN 21 HB3 ASN 21 -2.485 -11.651 0.111 542 HD21 ASN 21 HD21 ASN 21 -0.291 -14.264 -0.488 543 HD22 ASN 21 HD22 ASN 21 -1.061 -14.855 -1.917 544 H LEU 22 H LEU 22 -1.344 -8.652 -0.588 545 HA LEU 22 HA LEU 22 -2.499 -8.721 -3.160 546 HB2 LEU 22 HB2 LEU 22 -1.752 -6.477 -1.329 547 HB3 LEU 22 HB3 LEU 22 -2.428 -6.191 -2.921 548 HG LEU 22 HG LEU 22 -3.777 -7.650 -0.651 549 HD11 LEU 22 HD11 LEU 22 -5.216 -5.774 -0.542 550 HD12 LEU 22 HD12 LEU 22 -4.549 -5.081 -2.013 551 HD13 LEU 22 HD13 LEU 22 -3.574 -5.137 -0.544 552 HD21 LEU 22 HD21 LEU 22 -4.403 -8.688 -2.715 553 HD22 LEU 22 HD22 LEU 22 -4.671 -7.121 -3.479 554 HD23 LEU 22 HD23 LEU 22 -5.731 -7.661 -2.176 555 H ASN 23 H ASN 23 -1.649 -8.517 -5.086 556 HA ASN 23 HA ASN 23 1.165 -7.953 -5.399 557 HB2 ASN 23 HB2 ASN 23 -0.952 -8.302 -7.538 558 HB3 ASN 23 HB3 ASN 23 0.789 -8.304 -7.787 559 HD21 ASN 23 HD21 ASN 23 -1.959 -10.112 -6.799 560 HD22 ASN 23 HD22 ASN 23 -1.163 -11.632 -6.627 561 HA PRO 24 HA PRO 24 1.107 -3.573 -5.918 562 HB2 PRO 24 HB2 PRO 24 2.423 -4.075 -8.556 563 HB3 PRO 24 HB3 PRO 24 2.881 -2.960 -7.264 564 HG2 PRO 24 HG2 PRO 24 4.196 -5.243 -7.584 565 HG3 PRO 24 HG3 PRO 24 3.818 -4.640 -5.961 566 HD2 PRO 24 HD2 PRO 24 2.562 -6.863 -7.496 567 HD3 PRO 24 HD3 PRO 24 2.823 -6.701 -5.750 568 H ASP 25 H ASP 25 0.577 -5.228 -9.026 569 HA ASP 25 HA ASP 25 -1.015 -3.281 -10.231 570 HB2 ASP 25 HB2 ASP 25 -1.049 -6.280 -10.614 571 HB3 ASP 25 HB3 ASP 25 -1.856 -5.133 -11.676 572 H GLN 26 H GLN 26 -1.929 -6.029 -8.205 573 HA GLN 26 HA GLN 26 -4.715 -5.802 -8.571 574 HB2 GLN 26 HB2 GLN 26 -3.129 -7.025 -6.305 575 HB3 GLN 26 HB3 GLN 26 -4.870 -7.191 -6.496 576 HG2 GLN 26 HG2 GLN 26 -2.755 -8.206 -8.378 577 HG3 GLN 26 HG3 GLN 26 -3.756 -9.167 -7.299 578 HE21 GLN 26 HE21 GLN 26 -3.457 -9.248 -10.219 579 HE22 GLN 26 HE22 GLN 26 -5.052 -9.044 -10.857 580 H LEU 27 H LEU 27 -2.682 -4.785 -5.808 581 HA LEU 27 HA LEU 27 -4.874 -3.626 -4.444 582 HB2 LEU 27 HB2 LEU 27 -3.090 -2.565 -3.002 583 HB3 LEU 27 HB3 LEU 27 -3.118 -4.310 -3.070 584 HG LEU 27 HG LEU 27 -1.255 -4.051 -4.853 585 HD11 LEU 27 HD11 LEU 27 -1.043 -1.384 -3.473 586 HD12 LEU 27 HD12 LEU 27 -1.475 -1.643 -5.163 587 HD13 LEU 27 HD13 LEU 27 0.135 -2.075 -4.588 588 HD21 LEU 27 HD21 LEU 27 -0.680 -3.376 -1.968 589 HD22 LEU 27 HD22 LEU 27 0.430 -4.100 -3.131 590 HD23 LEU 27 HD23 LEU 27 -0.984 -4.996 -2.596 591 H CYS 28 H CYS 28 -2.676 -2.387 -6.829 592 HA CYS 28 HA CYS 28 -2.869 0.350 -6.324 593 HB2 CYS 28 HB2 CYS 28 -1.293 -0.628 -7.940 594 HB3 CYS 28 HB3 CYS 28 -2.636 -1.037 -9.002 595 H ALA 29 H ALA 29 -4.978 -1.784 -8.184 596 HA ALA 29 HA ALA 29 -6.614 0.219 -9.298 597 HB1 ALA 29 HB1 ALA 29 -8.162 -1.581 -9.809 598 HB2 ALA 29 HB2 ALA 29 -7.312 -2.651 -8.694 599 HB3 ALA 29 HB3 ALA 29 -6.505 -2.077 -10.154 600 H PHE 30 H PHE 30 -6.729 -1.507 -6.240 601 HA PHE 30 HA PHE 30 -9.355 -0.456 -5.632 602 HB2 PHE 30 HB2 PHE 30 -7.495 -2.225 -4.044 603 HB3 PHE 30 HB3 PHE 30 -9.102 -1.731 -3.504 604 HD1 PHE 30 HD1 PHE 30 -7.251 -4.119 -5.368 605 HD2 PHE 30 HD2 PHE 30 -11.065 -2.259 -5.070 606 HE1 PHE 30 HE1 PHE 30 -8.246 -5.955 -6.667 607 HE2 PHE 30 HE2 PHE 30 -12.068 -4.096 -6.361 608 HZ PHE 30 HZ PHE 30 -10.657 -5.948 -7.163 609 H ILE 31 H ILE 31 -6.021 0.211 -4.784 610 HA ILE 31 HA ILE 31 -6.532 2.121 -2.766 611 HB ILE 31 HB ILE 31 -4.293 1.972 -4.797 612 HG12 ILE 31 HG12 ILE 31 -4.345 1.285 -1.846 613 HG13 ILE 31 HG13 ILE 31 -4.467 0.102 -3.158 614 HG21 ILE 31 HG21 ILE 31 -4.630 4.277 -3.976 615 HG22 ILE 31 HG22 ILE 31 -3.090 3.586 -3.472 616 HG23 ILE 31 HG23 ILE 31 -4.426 3.693 -2.325 617 HD11 ILE 31 HD11 ILE 31 -2.115 1.905 -2.603 618 HD12 ILE 31 HD12 ILE 31 -2.236 0.742 -3.923 619 HD13 ILE 31 HD13 ILE 31 -2.221 0.180 -2.251 620 H HIS 32 H HIS 32 -6.290 2.357 -6.287 621 HA HIS 32 HA HIS 32 -6.914 5.088 -6.547 622 HB2 HIS 32 HB2 HIS 32 -6.025 3.632 -8.372 623 HB3 HIS 32 HB3 HIS 32 -7.594 2.842 -8.464 624 HD1 HIS 32 HD1 HIS 32 -9.434 4.030 -9.765 625 HD2 HIS 32 HD2 HIS 32 -5.970 6.292 -9.366 626 HE1 HIS 32 HE1 HIS 32 -9.722 5.988 -11.315 627 HE2 HIS 32 HE2 HIS 32 -7.589 7.313 -11.102 628 H SER 33 H SER 33 -8.895 2.239 -6.098 629 HA SER 33 HA SER 33 -11.394 3.449 -6.670 630 HB2 SER 33 HB2 SER 33 -10.943 0.978 -6.673 631 HB3 SER 33 HB3 SER 33 -10.875 1.038 -4.913 632 HG SER 33 HG SER 33 -13.002 1.451 -4.823 633 H ILE 34 H ILE 34 -9.510 3.027 -3.695 634 HA ILE 34 HA ILE 34 -11.388 4.066 -1.875 635 HB ILE 34 HB ILE 34 -8.368 4.274 -1.801 636 HG12 ILE 34 HG12 ILE 34 -9.250 1.957 -1.831 637 HG13 ILE 34 HG13 ILE 34 -8.454 2.353 -0.310 638 HG21 ILE 34 HG21 ILE 34 -9.369 5.957 -0.364 639 HG22 ILE 34 HG22 ILE 34 -8.630 4.684 0.608 640 HG23 ILE 34 HG23 ILE 34 -10.381 4.731 0.401 641 HD11 ILE 34 HD11 ILE 34 -10.605 2.680 0.751 642 HD12 ILE 34 HD12 ILE 34 -10.506 1.074 0.028 643 HD13 ILE 34 HD13 ILE 34 -11.424 2.348 -0.772 644 H HIS 35 H HIS 35 -8.888 5.614 -3.800 645 HA HIS 35 HA HIS 35 -9.352 8.267 -2.947 646 HB2 HIS 35 HB2 HIS 35 -7.319 7.404 -4.152 647 HB3 HIS 35 HB3 HIS 35 -8.271 7.377 -5.624 648 HD1 HIS 35 HD1 HIS 35 -8.227 9.461 -6.988 649 HD2 HIS 35 HD2 HIS 35 -7.092 10.136 -3.043 650 HE1 HIS 35 HE1 HIS 35 -7.462 11.854 -6.899 651 HE2 HIS 35 HE2 HIS 35 -6.605 12.173 -4.553 652 H ASP 36 H ASP 36 -10.949 6.201 -5.165 653 HA ASP 36 HA ASP 36 -12.320 8.309 -6.578 654 HB2 ASP 36 HB2 ASP 36 -11.730 6.256 -7.769 655 HB3 ASP 36 HB3 ASP 36 -12.701 5.312 -6.647 656 H ASP 37 H ASP 37 -12.893 6.311 -3.829 657 HA ASP 37 HA ASP 37 -15.337 7.673 -3.207 658 HB2 ASP 37 HB2 ASP 37 -15.878 5.719 -4.867 659 HB3 ASP 37 HB3 ASP 37 -15.652 4.698 -3.445 660 HA PRO 38 HA PRO 38 -12.716 6.218 0.331 661 HB2 PRO 38 HB2 PRO 38 -13.038 8.500 1.782 662 HB3 PRO 38 HB3 PRO 38 -11.789 8.296 0.551 663 HG2 PRO 38 HG2 PRO 38 -14.471 9.623 0.317 664 HG3 PRO 38 HG3 PRO 38 -12.890 10.190 -0.257 665 HD2 PRO 38 HD2 PRO 38 -14.633 9.035 -1.930 666 HD3 PRO 38 HD3 PRO 38 -12.890 8.742 -2.073 667 H SER 39 H SER 39 -16.010 7.057 -0.023 668 HA SER 39 HA SER 39 -16.752 6.614 2.716 669 HB2 SER 39 HB2 SER 39 -18.461 6.598 0.215 670 HB3 SER 39 HB3 SER 39 -19.060 6.650 1.873 671 HG SER 39 HG SER 39 -18.127 8.666 0.302 672 H GLN 40 H GLN 40 -16.275 4.686 -0.127 673 HA GLN 40 HA GLN 40 -17.480 2.324 1.028 674 HB2 GLN 40 HB2 GLN 40 -15.915 2.672 -1.525 675 HB3 GLN 40 HB3 GLN 40 -16.930 1.300 -1.091 676 HG2 GLN 40 HG2 GLN 40 -17.970 4.094 -1.300 677 HG3 GLN 40 HG3 GLN 40 -17.929 2.987 -2.659 678 HE21 GLN 40 HE21 GLN 40 -19.297 1.195 -2.662 679 HE22 GLN 40 HE22 GLN 40 -20.644 1.064 -1.588 680 H SER 41 H SER 41 -14.688 3.810 1.700 681 HA SER 41 HA SER 41 -12.524 2.300 1.188 682 HB2 SER 41 HB2 SER 41 -13.195 3.602 3.825 683 HB3 SER 41 HB3 SER 41 -11.594 3.002 3.393 684 HG SER 41 HG SER 41 -12.914 5.275 2.576 685 H ALA 42 H ALA 42 -14.585 1.620 4.058 686 HA ALA 42 HA ALA 42 -13.299 -0.646 4.922 687 HB1 ALA 42 HB1 ALA 42 -15.357 -1.231 6.055 688 HB2 ALA 42 HB2 ALA 42 -16.261 -0.130 5.015 689 HB3 ALA 42 HB3 ALA 42 -15.069 0.507 6.153 690 H ASN 43 H ASN 43 -15.932 -0.482 2.527 691 HA ASN 43 HA ASN 43 -16.031 -3.310 2.152 692 HB2 ASN 43 HB2 ASN 43 -17.915 -1.768 1.669 693 HB3 ASN 43 HB3 ASN 43 -17.012 -1.125 0.308 694 HD21 ASN 43 HD21 ASN 43 -19.610 -2.449 0.423 695 HD22 ASN 43 HD22 ASN 43 -19.509 -3.806 -0.644 696 H LEU 44 H LEU 44 -14.326 -0.653 0.584 697 HA LEU 44 HA LEU 44 -13.262 -2.264 -1.529 698 HB2 LEU 44 HB2 LEU 44 -12.753 0.480 -0.460 699 HB3 LEU 44 HB3 LEU 44 -11.582 -0.236 -1.547 700 HG LEU 44 HG LEU 44 -12.985 -0.098 -3.378 701 HD11 LEU 44 HD11 LEU 44 -15.453 0.203 -3.213 702 HD12 LEU 44 HD12 LEU 44 -15.316 -0.066 -1.474 703 HD13 LEU 44 HD13 LEU 44 -14.867 -1.346 -2.604 704 HD21 LEU 44 HD21 LEU 44 -14.085 2.103 -3.335 705 HD22 LEU 44 HD22 LEU 44 -12.465 2.145 -2.638 706 HD23 LEU 44 HD23 LEU 44 -13.881 2.153 -1.584 707 H LEU 45 H LEU 45 -12.533 -1.775 1.777 708 HA LEU 45 HA LEU 45 -9.830 -2.713 1.677 709 HB2 LEU 45 HB2 LEU 45 -10.487 -1.164 3.444 710 HB3 LEU 45 HB3 LEU 45 -11.846 -2.160 3.847 711 HG LEU 45 HG LEU 45 -9.847 -2.148 5.431 712 HD11 LEU 45 HD11 LEU 45 -11.757 -4.078 4.579 713 HD12 LEU 45 HD12 LEU 45 -11.130 -3.776 6.211 714 HD13 LEU 45 HD13 LEU 45 -10.297 -4.903 5.138 715 HD21 LEU 45 HD21 LEU 45 -8.126 -3.760 4.883 716 HD22 LEU 45 HD22 LEU 45 -8.182 -2.486 3.666 717 HD23 LEU 45 HD23 LEU 45 -8.891 -4.060 3.324 718 H ALA 46 H ALA 46 -13.036 -3.879 2.584 719 HA ALA 46 HA ALA 46 -12.453 -6.550 3.148 720 HB1 ALA 46 HB1 ALA 46 -14.842 -6.947 2.621 721 HB2 ALA 46 HB2 ALA 46 -14.943 -5.316 1.948 722 HB3 ALA 46 HB3 ALA 46 -14.601 -5.547 3.663 723 H GLU 47 H GLU 47 -13.225 -4.926 0.136 724 HA GLU 47 HA GLU 47 -13.292 -7.079 -1.615 725 HB2 GLU 47 HB2 GLU 47 -13.926 -4.711 -2.104 726 HB3 GLU 47 HB3 GLU 47 -12.217 -4.309 -2.165 727 HG2 GLU 47 HG2 GLU 47 -13.070 -4.577 -4.385 728 HG3 GLU 47 HG3 GLU 47 -11.931 -5.878 -4.020 729 H ALA 48 H ALA 48 -10.545 -4.944 -0.868 730 HA ALA 48 HA ALA 48 -8.556 -6.352 -2.202 731 HB1 ALA 48 HB1 ALA 48 -8.399 -4.683 0.302 732 HB2 ALA 48 HB2 ALA 48 -8.086 -4.167 -1.357 733 HB3 ALA 48 HB3 ALA 48 -6.987 -5.298 -0.557 734 H LYS 49 H LYS 49 -9.772 -6.767 1.117 735 HA LYS 49 HA LYS 49 -7.938 -8.684 1.967 736 HB2 LYS 49 HB2 LYS 49 -10.422 -7.604 2.920 737 HB3 LYS 49 HB3 LYS 49 -10.399 -9.347 3.167 738 HG2 LYS 49 HG2 LYS 49 -8.045 -8.910 4.152 739 HG3 LYS 49 HG3 LYS 49 -8.605 -7.241 4.273 740 HD2 LYS 49 HD2 LYS 49 -9.907 -9.668 5.505 741 HD3 LYS 49 HD3 LYS 49 -9.013 -8.411 6.359 742 HE2 LYS 49 HE2 LYS 49 -10.691 -6.766 5.707 743 HE3 LYS 49 HE3 LYS 49 -11.573 -8.004 4.816 744 HZ1 LYS 49 HZ1 LYS 49 -11.132 -7.892 7.747 745 HZ2 LYS 49 HZ2 LYS 49 -11.834 -9.204 6.948 746 HZ3 LYS 49 HZ3 LYS 49 -12.599 -7.697 6.931 747 H LYS 50 H LYS 50 -10.862 -9.049 0.057 748 HA LYS 50 HA LYS 50 -11.041 -11.842 0.067 749 HB2 LYS 50 HB2 LYS 50 -12.821 -10.494 -0.861 750 HB3 LYS 50 HB3 LYS 50 -11.742 -9.837 -2.083 751 HG2 LYS 50 HG2 LYS 50 -13.175 -11.470 -3.094 752 HG3 LYS 50 HG3 LYS 50 -11.527 -12.097 -3.057 753 HD2 LYS 50 HD2 LYS 50 -12.098 -13.389 -1.033 754 HD3 LYS 50 HD3 LYS 50 -13.758 -12.806 -1.153 755 HE2 LYS 50 HE2 LYS 50 -12.299 -14.482 -3.192 756 HE3 LYS 50 HE3 LYS 50 -13.556 -15.042 -2.094 757 HZ1 LYS 50 HZ1 LYS 50 -13.869 -13.079 -4.298 758 HZ2 LYS 50 HZ2 LYS 50 -15.079 -13.447 -3.178 759 HZ3 LYS 50 HZ3 LYS 50 -14.511 -14.642 -4.231 760 H LEU 51 H LEU 51 -9.227 -9.650 -2.026 761 HA LEU 51 HA LEU 51 -8.069 -11.577 -3.714 762 HB2 LEU 51 HB2 LEU 51 -7.738 -8.757 -3.107 763 HB3 LEU 51 HB3 LEU 51 -6.205 -9.531 -3.453 764 HG LEU 51 HG LEU 51 -8.557 -9.761 -5.317 765 HD11 LEU 51 HD11 LEU 51 -8.157 -7.416 -5.087 766 HD12 LEU 51 HD12 LEU 51 -7.424 -7.944 -6.605 767 HD13 LEU 51 HD13 LEU 51 -6.411 -7.652 -5.188 768 HD21 LEU 51 HD21 LEU 51 -5.579 -10.027 -5.738 769 HD22 LEU 51 HD22 LEU 51 -6.837 -10.284 -6.947 770 HD23 LEU 51 HD23 LEU 51 -6.705 -11.375 -5.567 771 H ASN 52 H ASN 52 -6.778 -9.972 -0.820 772 HA ASN 52 HA ASN 52 -4.349 -11.290 -0.632 773 HB2 ASN 52 HB2 ASN 52 -4.930 -9.350 0.732 774 HB3 ASN 52 HB3 ASN 52 -6.135 -10.294 1.597 775 HD21 ASN 52 HD21 ASN 52 -5.483 -11.734 3.172 776 HD22 ASN 52 HD22 ASN 52 -3.867 -11.779 3.786 777 H ASP 53 H ASP 53 -7.498 -12.267 0.685 778 HA ASP 53 HA ASP 53 -6.408 -14.528 2.071 779 HB2 ASP 53 HB2 ASP 53 -8.407 -13.355 2.887 780 HB3 ASP 53 HB3 ASP 53 -9.281 -13.833 1.437 781 H ALA 54 H ALA 54 -7.701 -13.950 -1.068 782 HA ALA 54 HA ALA 54 -8.555 -16.503 -1.805 783 HB1 ALA 54 HB1 ALA 54 -8.335 -15.707 -4.081 784 HB2 ALA 54 HB2 ALA 54 -7.315 -14.379 -3.527 785 HB3 ALA 54 HB3 ALA 54 -9.011 -14.443 -3.051 786 H GLN 55 H GLN 55 -5.386 -14.956 -2.178 787 HA GLN 55 HA GLN 55 -4.292 -17.472 -3.211 788 HB2 GLN 55 HB2 GLN 55 -3.958 -15.264 -4.418 789 HB3 GLN 55 HB3 GLN 55 -2.933 -14.779 -3.076 790 HG2 GLN 55 HG2 GLN 55 -1.464 -16.701 -3.549 791 HG3 GLN 55 HG3 GLN 55 -2.468 -17.086 -4.946 792 HE21 GLN 55 HE21 GLN 55 -2.426 -15.728 -6.743 793 HE22 GLN 55 HE22 GLN 55 -1.157 -14.578 -6.990 794 H ALA 56 H ALA 56 -4.911 -16.435 -0.333 795 HA ALA 56 HA ALA 56 -2.368 -16.540 0.986 796 HB1 ALA 56 HB1 ALA 56 -3.758 -16.608 3.050 797 HB2 ALA 56 HB2 ALA 56 -5.191 -16.669 2.020 798 HB3 ALA 56 HB3 ALA 56 -4.135 -15.260 1.976 Start of MODEL 10 1 H GLN 10 H GLN 10 18.305 -9.376 5.314 2 HA GLN 10 HA GLN 10 17.607 -7.451 4.108 3 HB2 GLN 10 HB2 GLN 10 15.942 -7.690 2.301 4 HB3 GLN 10 HB3 GLN 10 17.512 -8.340 1.883 5 HG2 GLN 10 HG2 GLN 10 16.639 -10.590 2.526 6 HG3 GLN 10 HG3 GLN 10 15.045 -9.850 2.658 7 HE21 GLN 10 HE21 GLN 10 13.983 -9.181 0.802 8 HE22 GLN 10 HE22 GLN 10 14.475 -9.697 -0.772 9 H ARG 11 H ARG 11 15.251 -6.698 3.958 10 HA ARG 11 HA ARG 11 13.560 -8.168 5.830 11 HB2 ARG 11 HB2 ARG 11 13.015 -6.148 7.035 12 HB3 ARG 11 HB3 ARG 11 14.756 -6.400 7.062 13 HG2 ARG 11 HG2 ARG 11 15.062 -4.779 5.321 14 HG3 ARG 11 HG3 ARG 11 13.315 -4.598 5.175 15 HD2 ARG 11 HD2 ARG 11 14.272 -2.756 6.468 16 HD3 ARG 11 HD3 ARG 11 13.227 -3.750 7.482 17 HE ARG 11 HE ARG 11 15.666 -4.823 7.906 18 HH11 ARG 11 HH11 ARG 11 14.456 -1.533 8.067 19 HH12 ARG 11 HH12 ARG 11 15.585 -1.043 9.288 20 HH21 ARG 11 HH21 ARG 11 17.141 -4.186 9.518 21 HH22 ARG 11 HH22 ARG 11 17.117 -2.556 10.114 22 H LEU 12 H LEU 12 11.376 -7.972 5.448 23 HA LEU 12 HA LEU 12 10.792 -7.040 2.750 24 HB2 LEU 12 HB2 LEU 12 9.434 -9.134 4.374 25 HB3 LEU 12 HB3 LEU 12 9.126 -8.749 2.685 26 HG LEU 12 HG LEU 12 11.744 -9.769 3.769 27 HD11 LEU 12 HD11 LEU 12 11.108 -11.818 2.649 28 HD12 LEU 12 HD12 LEU 12 9.546 -11.092 2.260 29 HD13 LEU 12 HD13 LEU 12 9.994 -11.371 3.940 30 HD21 LEU 12 HD21 LEU 12 12.283 -10.103 1.387 31 HD22 LEU 12 HD22 LEU 12 12.052 -8.402 1.789 32 HD23 LEU 12 HD23 LEU 12 10.780 -9.291 0.949 33 H ALA 13 H ALA 13 8.201 -6.804 2.544 34 HA ALA 13 HA ALA 13 7.268 -5.257 4.851 35 HB1 ALA 13 HB1 ALA 13 6.603 -3.394 3.561 36 HB2 ALA 13 HB2 ALA 13 6.965 -4.224 2.047 37 HB3 ALA 13 HB3 ALA 13 8.277 -3.740 3.123 38 H ASN 14 H ASN 14 5.221 -5.450 5.338 39 HA ASN 14 HA ASN 14 3.405 -6.845 3.494 40 HB2 ASN 14 HB2 ASN 14 3.302 -6.363 6.483 41 HB3 ASN 14 HB3 ASN 14 1.890 -6.881 5.578 42 HD21 ASN 14 HD21 ASN 14 5.102 -7.982 4.765 43 HD22 ASN 14 HD22 ASN 14 4.887 -9.610 5.309 44 H PHE 15 H PHE 15 1.312 -5.872 3.101 45 HA PHE 15 HA PHE 15 1.386 -2.952 3.428 46 HB2 PHE 15 HB2 PHE 15 1.232 -3.867 1.089 47 HB3 PHE 15 HB3 PHE 15 -0.323 -4.568 1.522 48 HD1 PHE 15 HD1 PHE 15 -2.227 -3.054 2.110 49 HD2 PHE 15 HD2 PHE 15 1.434 -1.595 0.504 50 HE1 PHE 15 HE1 PHE 15 -3.335 -0.942 1.517 51 HE2 PHE 15 HE2 PHE 15 0.331 0.523 -0.090 52 HZ PHE 15 HZ PHE 15 -2.056 0.852 0.419 53 H LEU 16 H LEU 16 0.250 -2.313 5.143 54 HA LEU 16 HA LEU 16 -2.190 -3.805 5.803 55 HB2 LEU 16 HB2 LEU 16 -1.822 -3.510 8.060 56 HB3 LEU 16 HB3 LEU 16 -0.189 -3.748 7.458 57 HG LEU 16 HG LEU 16 -1.458 -1.122 8.231 58 HD11 LEU 16 HD11 LEU 16 0.742 -2.795 9.443 59 HD12 LEU 16 HD12 LEU 16 -0.831 -2.425 10.152 60 HD13 LEU 16 HD13 LEU 16 0.364 -1.143 9.944 61 HD21 LEU 16 HD21 LEU 16 1.335 -1.608 7.249 62 HD22 LEU 16 HD22 LEU 16 0.639 -0.071 7.776 63 HD23 LEU 16 HD23 LEU 16 0.033 -0.863 6.320 64 H VAL 17 H VAL 17 -3.890 -2.469 6.824 65 HA VAL 17 HA VAL 17 -3.722 0.358 6.273 66 HB VAL 17 HB VAL 17 -4.531 -0.271 4.171 67 HG11 VAL 17 HG11 VAL 17 -6.540 -2.070 5.473 68 HG12 VAL 17 HG12 VAL 17 -5.029 -2.607 4.739 69 HG13 VAL 17 HG13 VAL 17 -6.275 -1.853 3.743 70 HG21 VAL 17 HG21 VAL 17 -6.860 0.520 4.134 71 HG22 VAL 17 HG22 VAL 17 -5.814 1.528 5.135 72 HG23 VAL 17 HG23 VAL 17 -6.901 0.365 5.890 73 H HIS 18 H HIS 18 -4.630 1.475 7.799 74 HA HIS 18 HA HIS 18 -6.387 0.225 9.739 75 HB2 HIS 18 HB2 HIS 18 -4.649 1.885 10.417 76 HB3 HIS 18 HB3 HIS 18 -5.508 3.122 9.504 77 HD1 HIS 18 HD1 HIS 18 -6.691 4.590 11.111 78 HD2 HIS 18 HD2 HIS 18 -6.796 0.613 12.306 79 HE1 HIS 18 HE1 HIS 18 -8.044 4.556 13.222 80 HE2 HIS 18 HE2 HIS 18 -7.908 2.178 14.038 81 H SER 19 H SER 19 -8.483 0.103 9.424 82 HA SER 19 HA SER 19 -9.631 0.115 7.078 83 HB2 SER 19 HB2 SER 19 -11.091 0.869 9.599 84 HB3 SER 19 HB3 SER 19 -11.830 0.204 8.145 85 HG SER 19 HG SER 19 -11.129 -1.718 8.659 86 H SER 20 H SER 20 -9.852 3.126 9.045 87 HA SER 20 HA SER 20 -11.902 4.103 7.331 88 HB2 SER 20 HB2 SER 20 -10.278 5.600 9.388 89 HB3 SER 20 HB3 SER 20 -11.809 6.123 8.686 90 HG SER 20 HG SER 20 -12.526 3.917 9.536 91 H ASN 21 H ASN 21 -8.500 5.232 7.768 92 HA ASN 21 HA ASN 21 -8.760 6.499 5.125 93 HB2 ASN 21 HB2 ASN 21 -7.758 7.850 7.629 94 HB3 ASN 21 HB3 ASN 21 -7.538 8.503 6.012 95 HD21 ASN 21 HD21 ASN 21 -8.963 9.558 8.339 96 HD22 ASN 21 HD22 ASN 21 -10.582 9.856 7.803 97 H ASN 22 H ASN 22 -6.673 4.971 7.467 98 HA ASN 22 HA ASN 22 -4.323 6.012 6.065 99 HB2 ASN 22 HB2 ASN 22 -4.624 4.856 8.834 100 HB3 ASN 22 HB3 ASN 22 -3.077 5.306 8.126 101 HD21 ASN 22 HD21 ASN 22 -2.515 7.440 8.002 102 HD22 ASN 22 HD22 ASN 22 -3.459 8.718 8.682 103 H PHE 23 H PHE 23 -4.336 4.514 4.321 104 HA PHE 23 HA PHE 23 -3.617 1.792 4.917 105 HB2 PHE 23 HB2 PHE 23 -3.127 1.814 2.395 106 HB3 PHE 23 HB3 PHE 23 -4.796 1.942 2.902 107 HD1 PHE 23 HD1 PHE 23 -5.936 4.136 2.777 108 HD2 PHE 23 HD2 PHE 23 -2.038 3.541 1.154 109 HE1 PHE 23 HE1 PHE 23 -6.185 6.177 1.428 110 HE2 PHE 23 HE2 PHE 23 -2.285 5.584 -0.185 111 HZ PHE 23 HZ PHE 23 -4.358 6.904 -0.052 112 H GLY 24 H GLY 24 -1.546 0.918 4.757 113 HA2 GLY 24 HA2 GLY 24 0.632 2.656 3.933 114 HA3 GLY 24 HA3 GLY 24 0.582 2.315 5.652 115 H ALA 25 H ALA 25 2.496 1.239 5.681 116 HA ALA 25 HA ALA 25 2.448 -1.461 4.654 117 HB1 ALA 25 HB1 ALA 25 4.749 -1.230 3.746 118 HB2 ALA 25 HB2 ALA 25 4.627 0.514 4.003 119 HB3 ALA 25 HB3 ALA 25 3.550 -0.287 2.859 120 H ILE 26 H ILE 26 4.461 -2.624 5.493 121 HA ILE 26 HA ILE 26 5.592 -1.570 7.910 122 HB ILE 26 HB ILE 26 3.485 -2.169 8.832 123 HG12 ILE 26 HG12 ILE 26 5.341 -4.456 9.505 124 HG13 ILE 26 HG13 ILE 26 5.649 -2.809 10.042 125 HG21 ILE 26 HG21 ILE 26 2.578 -4.452 8.685 126 HG22 ILE 26 HG22 ILE 26 3.874 -4.880 7.575 127 HG23 ILE 26 HG23 ILE 26 2.683 -3.669 7.108 128 HD11 ILE 26 HD11 ILE 26 3.307 -2.904 11.027 129 HD12 ILE 26 HD12 ILE 26 4.581 -3.819 11.831 130 HD13 ILE 26 HD13 ILE 26 3.420 -4.647 10.794 131 H LEU 27 H LEU 27 7.487 -2.514 8.309 132 HA LEU 27 HA LEU 27 8.364 -4.491 6.386 133 HB2 LEU 27 HB2 LEU 27 9.807 -2.845 8.446 134 HB3 LEU 27 HB3 LEU 27 10.597 -4.076 7.483 135 HG LEU 27 HG LEU 27 9.283 -1.564 6.446 136 HD11 LEU 27 HD11 LEU 27 11.534 -0.985 5.774 137 HD12 LEU 27 HD12 LEU 27 12.127 -2.511 6.442 138 HD13 LEU 27 HD13 LEU 27 11.465 -1.277 7.518 139 HD21 LEU 27 HD21 LEU 27 10.643 -3.807 4.970 140 HD22 LEU 27 HD22 LEU 27 10.135 -2.268 4.259 141 HD23 LEU 27 HD23 LEU 27 8.931 -3.391 4.894 142 H SER 28 H SER 28 9.618 -6.268 6.980 143 HA SER 28 HA SER 28 8.652 -7.533 9.461 144 HB2 SER 28 HB2 SER 28 8.734 -8.820 6.719 145 HB3 SER 28 HB3 SER 28 8.218 -9.601 8.213 146 HG SER 28 HG SER 28 6.403 -8.902 7.116 147 H SER 29 H SER 29 10.082 -8.815 10.494 148 HA SER 29 HA SER 29 12.422 -9.835 9.160 149 HB2 SER 29 HB2 SER 29 12.734 -7.861 11.441 150 HB3 SER 29 HB3 SER 29 14.038 -8.793 10.705 151 HG SER 29 HG SER 29 12.713 -7.547 8.767 152 H THR 30 H THR 30 11.439 -9.077 12.513 153 HA THR 30 HA THR 30 11.892 -11.893 13.190 154 HB THR 30 HB THR 30 11.871 -11.050 15.571 155 HG1 THR 30 HG1 THR 30 10.794 -9.004 14.880 156 HG21 THR 30 HG21 THR 30 14.142 -10.102 15.445 157 HG22 THR 30 HG22 THR 30 13.954 -9.911 13.702 158 HG23 THR 30 HG23 THR 30 13.965 -11.524 14.417 159 H GLY 13 H GLY 13 -12.232 4.710 11.667 160 HA2 GLY 13 HA2 GLY 13 -10.473 4.146 13.217 161 HA3 GLY 13 HA3 GLY 13 -11.675 3.451 14.296 162 H GLY 14 H GLY 14 -12.692 1.507 13.732 163 HA2 GLY 14 HA2 GLY 14 -13.002 -0.473 12.583 164 HA3 GLY 14 HA3 GLY 14 -12.005 0.157 11.283 165 H GLU 15 H GLU 15 -10.623 -1.476 10.967 166 HA GLU 15 HA GLU 15 -8.963 -2.325 13.251 167 HB2 GLU 15 HB2 GLU 15 -8.890 -4.568 12.320 168 HB3 GLU 15 HB3 GLU 15 -10.568 -4.095 12.557 169 HG2 GLU 15 HG2 GLU 15 -10.774 -3.587 10.184 170 HG3 GLU 15 HG3 GLU 15 -9.086 -4.026 9.936 171 H ILE 16 H ILE 16 -6.899 -3.482 12.267 172 HA ILE 16 HA ILE 16 -6.058 -2.022 9.852 173 HB ILE 16 HB ILE 16 -4.283 -3.121 12.034 174 HG12 ILE 16 HG12 ILE 16 -4.961 -0.241 11.440 175 HG13 ILE 16 HG13 ILE 16 -5.762 -1.188 12.689 176 HG21 ILE 16 HG21 ILE 16 -3.180 -3.053 9.879 177 HG22 ILE 16 HG22 ILE 16 -2.549 -1.769 10.909 178 HG23 ILE 16 HG23 ILE 16 -3.704 -1.388 9.634 179 HD11 ILE 16 HD11 ILE 16 -2.833 -0.564 12.564 180 HD12 ILE 16 HD12 ILE 16 -3.651 -1.495 13.820 181 HD13 ILE 16 HD13 ILE 16 -4.024 0.214 13.603 182 H VAL 17 H VAL 17 -6.168 -3.339 8.166 183 HA VAL 17 HA VAL 17 -5.647 -6.185 8.588 184 HB VAL 17 HB VAL 17 -6.519 -6.257 6.103 185 HG11 VAL 17 HG11 VAL 17 -8.767 -6.649 6.994 186 HG12 VAL 17 HG12 VAL 17 -8.314 -5.840 8.494 187 HG13 VAL 17 HG13 VAL 17 -7.537 -7.357 8.040 188 HG21 VAL 17 HG21 VAL 17 -8.340 -4.602 5.784 189 HG22 VAL 17 HG22 VAL 17 -6.720 -3.913 5.714 190 HG23 VAL 17 HG23 VAL 17 -7.705 -3.700 7.163 191 H TYR 18 H TYR 18 -3.826 -6.997 8.074 192 HA TYR 18 HA TYR 18 -1.973 -5.698 6.261 193 HB2 TYR 18 HB2 TYR 18 -1.679 -8.326 7.735 194 HB3 TYR 18 HB3 TYR 18 -0.399 -7.427 6.938 195 HD1 TYR 18 HD1 TYR 18 -2.806 -7.261 9.769 196 HD2 TYR 18 HD2 TYR 18 0.855 -5.840 8.133 197 HE1 TYR 18 HE1 TYR 18 -2.282 -6.162 11.902 198 HE2 TYR 18 HE2 TYR 18 1.390 -4.747 10.254 199 HH TYR 18 HH TYR 18 -0.365 -5.364 13.130 200 H LEU 19 H LEU 19 -2.386 -6.016 4.140 201 HA LEU 19 HA LEU 19 -2.884 -8.791 3.270 202 HB2 LEU 19 HB2 LEU 19 -3.992 -7.577 1.226 203 HB3 LEU 19 HB3 LEU 19 -4.902 -7.806 2.708 204 HG LEU 19 HG LEU 19 -3.424 -5.270 2.570 205 HD11 LEU 19 HD11 LEU 19 -5.335 -6.175 0.514 206 HD12 LEU 19 HD12 LEU 19 -3.989 -5.029 0.395 207 HD13 LEU 19 HD13 LEU 19 -5.515 -4.523 1.124 208 HD21 LEU 19 HD21 LEU 19 -5.543 -4.425 3.449 209 HD22 LEU 19 HD22 LEU 19 -4.998 -5.823 4.374 210 HD23 LEU 19 HD23 LEU 19 -6.290 -6.000 3.187 211 HA PRO 20 HA PRO 20 0.970 -7.398 1.239 212 HB2 PRO 20 HB2 PRO 20 2.559 -9.358 2.031 213 HB3 PRO 20 HB3 PRO 20 2.027 -8.130 3.187 214 HG2 PRO 20 HG2 PRO 20 1.024 -10.921 2.799 215 HG3 PRO 20 HG3 PRO 20 1.324 -10.039 4.304 216 HD2 PRO 20 HD2 PRO 20 -1.154 -10.325 3.059 217 HD3 PRO 20 HD3 PRO 20 -0.753 -9.111 4.289 218 H ASN 21 H ASN 21 -1.123 -10.001 0.772 219 HA ASN 21 HA ASN 21 0.634 -11.434 -1.077 220 HB2 ASN 21 HB2 ASN 21 -2.096 -12.098 0.035 221 HB3 ASN 21 HB3 ASN 21 -1.255 -13.097 -1.144 222 HD21 ASN 21 HD21 ASN 21 -2.110 -13.629 1.619 223 HD22 ASN 21 HD22 ASN 21 -0.684 -14.137 2.457 224 H LEU 22 H LEU 22 -1.172 -8.828 -1.332 225 HA LEU 22 HA LEU 22 -2.821 -9.436 -3.579 226 HB2 LEU 22 HB2 LEU 22 -1.866 -6.818 -2.447 227 HB3 LEU 22 HB3 LEU 22 -2.957 -6.944 -3.811 228 HG LEU 22 HG LEU 22 -3.471 -7.551 -0.929 229 HD11 LEU 22 HD11 LEU 22 -3.982 -5.354 -1.680 230 HD12 LEU 22 HD12 LEU 22 -5.494 -6.231 -1.459 231 HD13 LEU 22 HD13 LEU 22 -4.851 -5.975 -3.080 232 HD21 LEU 22 HD21 LEU 22 -5.553 -8.596 -1.520 233 HD22 LEU 22 HD22 LEU 22 -4.185 -9.538 -2.127 234 HD23 LEU 22 HD23 LEU 22 -5.128 -8.540 -3.243 235 H ASN 23 H ASN 23 -2.549 -8.880 -5.680 236 HA ASN 23 HA ASN 23 0.107 -8.710 -6.732 237 HB2 ASN 23 HB2 ASN 23 -2.498 -8.028 -8.125 238 HB3 ASN 23 HB3 ASN 23 -0.955 -8.365 -8.903 239 HD21 ASN 23 HD21 ASN 23 -3.526 -9.659 -9.243 240 HD22 ASN 23 HD22 ASN 23 -3.280 -11.329 -8.868 241 HA PRO 24 HA PRO 24 0.958 -4.339 -6.291 242 HB2 PRO 24 HB2 PRO 24 1.906 -4.693 -9.111 243 HB3 PRO 24 HB3 PRO 24 2.699 -3.887 -7.756 244 HG2 PRO 24 HG2 PRO 24 3.484 -6.304 -8.480 245 HG3 PRO 24 HG3 PRO 24 3.333 -5.898 -6.761 246 HD2 PRO 24 HD2 PRO 24 1.536 -7.545 -8.486 247 HD3 PRO 24 HD3 PRO 24 1.957 -7.747 -6.772 248 H ASP 25 H ASP 25 -0.353 -5.516 -9.351 249 HA ASP 25 HA ASP 25 -1.571 -3.180 -10.261 250 HB2 ASP 25 HB2 ASP 25 -2.558 -6.015 -10.638 251 HB3 ASP 25 HB3 ASP 25 -2.955 -4.631 -11.651 252 H GLN 26 H GLN 26 -2.750 -5.665 -8.046 253 HA GLN 26 HA GLN 26 -5.409 -4.666 -7.911 254 HB2 GLN 26 HB2 GLN 26 -3.879 -6.515 -6.088 255 HB3 GLN 26 HB3 GLN 26 -5.577 -6.107 -5.856 256 HG2 GLN 26 HG2 GLN 26 -6.106 -7.050 -8.040 257 HG3 GLN 26 HG3 GLN 26 -4.409 -7.459 -8.277 258 HE21 GLN 26 HE21 GLN 26 -4.179 -8.103 -5.382 259 HE22 GLN 26 HE22 GLN 26 -4.859 -9.689 -5.231 260 H LEU 27 H LEU 27 -2.549 -4.254 -5.814 261 HA LEU 27 HA LEU 27 -3.772 -2.585 -3.922 262 HB2 LEU 27 HB2 LEU 27 -0.924 -2.557 -4.934 263 HB3 LEU 27 HB3 LEU 27 -1.493 -1.646 -3.553 264 HG LEU 27 HG LEU 27 -1.607 -4.645 -3.727 265 HD11 LEU 27 HD11 LEU 27 0.355 -4.696 -2.352 266 HD12 LEU 27 HD12 LEU 27 0.395 -2.934 -2.276 267 HD13 LEU 27 HD13 LEU 27 0.703 -3.757 -3.805 268 HD21 LEU 27 HD21 LEU 27 -1.899 -2.724 -1.428 269 HD22 LEU 27 HD22 LEU 27 -1.962 -4.484 -1.320 270 HD23 LEU 27 HD23 LEU 27 -3.211 -3.609 -2.205 271 H CYS 28 H CYS 28 -2.176 -1.857 -6.977 272 HA CYS 28 HA CYS 28 -2.379 0.911 -6.969 273 HB2 CYS 28 HB2 CYS 28 -1.242 -0.718 -8.646 274 HB3 CYS 28 HB3 CYS 28 -2.805 -0.738 -9.453 275 H ALA 29 H ALA 29 -4.693 -1.543 -8.039 276 HA ALA 29 HA ALA 29 -6.700 0.278 -8.898 277 HB1 ALA 29 HB1 ALA 29 -6.578 -1.991 -9.758 278 HB2 ALA 29 HB2 ALA 29 -8.138 -1.716 -8.984 279 HB3 ALA 29 HB3 ALA 29 -6.890 -2.641 -8.149 280 H PHE 30 H PHE 30 -6.263 -1.647 -5.951 281 HA PHE 30 HA PHE 30 -8.695 -0.988 -4.726 282 HB2 PHE 30 HB2 PHE 30 -7.749 -2.830 -3.758 283 HB3 PHE 30 HB3 PHE 30 -6.113 -2.206 -3.914 284 HD1 PHE 30 HD1 PHE 30 -5.011 -1.356 -2.096 285 HD2 PHE 30 HD2 PHE 30 -9.236 -1.788 -1.936 286 HE1 PHE 30 HE1 PHE 30 -4.971 -0.789 0.301 287 HE2 PHE 30 HE2 PHE 30 -9.208 -1.219 0.457 288 HZ PHE 30 HZ PHE 30 -7.074 -0.721 1.581 289 H ILE 31 H ILE 31 -5.455 0.433 -4.332 290 HA ILE 31 HA ILE 31 -6.227 2.322 -2.390 291 HB ILE 31 HB ILE 31 -3.911 2.364 -4.315 292 HG12 ILE 31 HG12 ILE 31 -3.945 1.686 -1.370 293 HG13 ILE 31 HG13 ILE 31 -4.092 0.473 -2.637 294 HG21 ILE 31 HG21 ILE 31 -2.914 3.991 -2.740 295 HG22 ILE 31 HG22 ILE 31 -4.458 4.076 -1.894 296 HG23 ILE 31 HG23 ILE 31 -4.339 4.614 -3.571 297 HD11 ILE 31 HD11 ILE 31 -1.909 1.004 -3.470 298 HD12 ILE 31 HD12 ILE 31 -1.810 0.696 -1.735 299 HD13 ILE 31 HD13 ILE 31 -1.767 2.355 -2.342 300 H HIS 32 H HIS 32 -6.077 2.430 -5.875 301 HA HIS 32 HA HIS 32 -6.684 5.169 -6.183 302 HB2 HIS 32 HB2 HIS 32 -5.805 3.703 -8.007 303 HB3 HIS 32 HB3 HIS 32 -7.378 2.917 -8.084 304 HD1 HIS 32 HD1 HIS 32 -9.122 4.002 -9.525 305 HD2 HIS 32 HD2 HIS 32 -5.877 6.495 -8.794 306 HE1 HIS 32 HE1 HIS 32 -9.479 6.022 -10.974 307 HE2 HIS 32 HE2 HIS 32 -7.448 7.462 -10.605 308 H SER 33 H SER 33 -8.653 2.306 -5.722 309 HA SER 33 HA SER 33 -11.137 3.623 -6.218 310 HB2 SER 33 HB2 SER 33 -10.557 0.995 -4.839 311 HB3 SER 33 HB3 SER 33 -12.151 1.550 -5.352 312 HG SER 33 HG SER 33 -9.931 0.800 -6.935 313 H ILE 34 H ILE 34 -9.147 3.062 -3.376 314 HA ILE 34 HA ILE 34 -11.053 3.843 -1.429 315 HB ILE 34 HB ILE 34 -8.038 4.117 -1.385 316 HG12 ILE 34 HG12 ILE 34 -8.871 1.792 -1.555 317 HG13 ILE 34 HG13 ILE 34 -8.078 2.097 -0.013 318 HG21 ILE 34 HG21 ILE 34 -10.019 4.379 0.882 319 HG22 ILE 34 HG22 ILE 34 -9.056 5.679 0.180 320 HG23 ILE 34 HG23 ILE 34 -8.263 4.365 1.049 321 HD11 ILE 34 HD11 ILE 34 -10.081 0.764 0.281 322 HD12 ILE 34 HD12 ILE 34 -11.050 2.019 -0.490 323 HD13 ILE 34 HD13 ILE 34 -10.262 2.337 1.055 324 H HIS 35 H HIS 35 -8.584 5.620 -3.211 325 HA HIS 35 HA HIS 35 -9.148 8.126 -2.002 326 HB2 HIS 35 HB2 HIS 35 -6.997 7.405 -3.133 327 HB3 HIS 35 HB3 HIS 35 -7.812 7.672 -4.670 328 HD1 HIS 35 HD1 HIS 35 -7.574 9.954 -5.613 329 HD2 HIS 35 HD2 HIS 35 -6.960 9.900 -1.503 330 HE1 HIS 35 HE1 HIS 35 -6.884 12.291 -5.002 331 HE2 HIS 35 HE2 HIS 35 -6.646 12.266 -2.494 332 H ASP 36 H ASP 36 -10.294 6.466 -4.857 333 HA ASP 36 HA ASP 36 -11.699 8.745 -5.909 334 HB2 ASP 36 HB2 ASP 36 -10.793 6.825 -7.291 335 HB3 ASP 36 HB3 ASP 36 -12.109 5.846 -6.651 336 H ASP 37 H ASP 37 -12.704 5.676 -4.360 337 HA ASP 37 HA ASP 37 -15.234 6.961 -3.640 338 HB2 ASP 37 HB2 ASP 37 -14.497 4.143 -4.345 339 HB3 ASP 37 HB3 ASP 37 -15.843 4.451 -3.282 340 HA PRO 38 HA PRO 38 -12.829 6.235 0.251 341 HB2 PRO 38 HB2 PRO 38 -13.373 8.569 1.460 342 HB3 PRO 38 HB3 PRO 38 -12.119 8.427 0.227 343 HG2 PRO 38 HG2 PRO 38 -14.924 9.434 -0.052 344 HG3 PRO 38 HG3 PRO 38 -13.422 10.120 -0.697 345 HD2 PRO 38 HD2 PRO 38 -15.118 8.598 -2.186 346 HD3 PRO 38 HD3 PRO 38 -13.367 8.653 -2.469 347 H SER 39 H SER 39 -16.099 7.152 -0.395 348 HA SER 39 HA SER 39 -17.068 6.615 2.254 349 HB2 SER 39 HB2 SER 39 -18.662 6.749 -0.315 350 HB3 SER 39 HB3 SER 39 -19.264 6.966 1.326 351 HG SER 39 HG SER 39 -18.375 8.826 -0.287 352 H GLN 40 H GLN 40 -16.668 4.826 -0.736 353 HA GLN 40 HA GLN 40 -17.995 2.484 0.293 354 HB2 GLN 40 HB2 GLN 40 -16.289 2.741 -2.185 355 HB3 GLN 40 HB3 GLN 40 -17.389 1.437 -1.788 356 HG2 GLN 40 HG2 GLN 40 -19.208 3.194 -1.777 357 HG3 GLN 40 HG3 GLN 40 -18.037 4.237 -2.577 358 HE21 GLN 40 HE21 GLN 40 -19.985 1.363 -2.868 359 HE22 GLN 40 HE22 GLN 40 -19.812 1.192 -4.583 360 H SER 41 H SER 41 -15.067 3.881 0.839 361 HA SER 41 HA SER 41 -13.018 2.189 0.542 362 HB2 SER 41 HB2 SER 41 -12.727 4.321 1.623 363 HB3 SER 41 HB3 SER 41 -13.682 3.802 3.010 364 HG SER 41 HG SER 41 -11.140 3.680 2.865 365 H ALA 42 H ALA 42 -15.454 1.861 3.102 366 HA ALA 42 HA ALA 42 -14.346 -0.198 4.591 367 HB1 ALA 42 HB1 ALA 42 -17.259 0.199 3.956 368 HB2 ALA 42 HB2 ALA 42 -16.368 1.069 5.206 369 HB3 ALA 42 HB3 ALA 42 -16.597 -0.675 5.337 370 H ASN 43 H ASN 43 -16.266 -0.342 1.660 371 HA ASN 43 HA ASN 43 -16.283 -3.223 1.587 372 HB2 ASN 43 HB2 ASN 43 -18.179 -1.954 0.686 373 HB3 ASN 43 HB3 ASN 43 -17.120 -1.204 -0.506 374 HD21 ASN 43 HD21 ASN 43 -16.567 -2.316 -2.323 375 HD22 ASN 43 HD22 ASN 43 -17.217 -3.865 -2.729 376 H LEU 44 H LEU 44 -14.487 -0.604 0.044 377 HA LEU 44 HA LEU 44 -13.216 -2.193 -1.901 378 HB2 LEU 44 HB2 LEU 44 -12.531 0.447 -0.669 379 HB3 LEU 44 HB3 LEU 44 -11.385 -0.349 -1.724 380 HG LEU 44 HG LEU 44 -12.443 1.036 -3.214 381 HD11 LEU 44 HD11 LEU 44 -14.318 -1.312 -3.281 382 HD12 LEU 44 HD12 LEU 44 -12.677 -1.328 -3.933 383 HD13 LEU 44 HD13 LEU 44 -13.892 -0.237 -4.614 384 HD21 LEU 44 HD21 LEU 44 -15.047 0.555 -1.784 385 HD22 LEU 44 HD22 LEU 44 -14.819 1.594 -3.188 386 HD23 LEU 44 HD23 LEU 44 -14.035 1.993 -1.661 387 H LEU 45 H LEU 45 -12.294 -1.447 1.472 388 HA LEU 45 HA LEU 45 -9.865 -2.994 1.096 389 HB2 LEU 45 HB2 LEU 45 -9.103 -2.217 3.083 390 HB3 LEU 45 HB3 LEU 45 -10.245 -0.944 2.716 391 HG LEU 45 HG LEU 45 -11.143 -3.245 4.396 392 HD11 LEU 45 HD11 LEU 45 -10.368 -2.035 6.398 393 HD12 LEU 45 HD12 LEU 45 -9.504 -0.903 5.355 394 HD13 LEU 45 HD13 LEU 45 -9.030 -2.601 5.397 395 HD21 LEU 45 HD21 LEU 45 -12.760 -1.563 3.671 396 HD22 LEU 45 HD22 LEU 45 -11.768 -0.298 4.398 397 HD23 LEU 45 HD23 LEU 45 -12.525 -1.521 5.420 398 H ALA 46 H ALA 46 -13.097 -3.542 1.983 399 HA ALA 46 HA ALA 46 -12.883 -5.954 3.416 400 HB1 ALA 46 HB1 ALA 46 -14.992 -5.227 1.381 401 HB2 ALA 46 HB2 ALA 46 -14.998 -4.680 3.064 402 HB3 ALA 46 HB3 ALA 46 -15.143 -6.400 2.695 403 H GLU 47 H GLU 47 -13.132 -5.248 -0.012 404 HA GLU 47 HA GLU 47 -12.953 -7.835 -1.034 405 HB2 GLU 47 HB2 GLU 47 -11.960 -5.227 -2.203 406 HB3 GLU 47 HB3 GLU 47 -12.169 -6.730 -3.107 407 HG2 GLU 47 HG2 GLU 47 -14.530 -6.727 -2.507 408 HG3 GLU 47 HG3 GLU 47 -14.300 -5.177 -1.689 409 H ALA 48 H ALA 48 -10.472 -5.464 -0.340 410 HA ALA 48 HA ALA 48 -8.267 -6.932 -1.209 411 HB1 ALA 48 HB1 ALA 48 -6.907 -5.513 0.151 412 HB2 ALA 48 HB2 ALA 48 -8.316 -4.988 1.075 413 HB3 ALA 48 HB3 ALA 48 -8.174 -4.565 -0.635 414 H LYS 49 H LYS 49 -9.980 -7.072 1.880 415 HA LYS 49 HA LYS 49 -8.161 -8.748 3.240 416 HB2 LYS 49 HB2 LYS 49 -11.169 -8.666 3.510 417 HB3 LYS 49 HB3 LYS 49 -10.059 -9.365 4.670 418 HG2 LYS 49 HG2 LYS 49 -9.134 -7.177 5.110 419 HG3 LYS 49 HG3 LYS 49 -10.202 -6.460 3.908 420 HD2 LYS 49 HD2 LYS 49 -12.130 -7.381 5.252 421 HD3 LYS 49 HD3 LYS 49 -10.959 -7.770 6.513 422 HE2 LYS 49 HE2 LYS 49 -10.330 -5.414 6.660 423 HE3 LYS 49 HE3 LYS 49 -11.479 -5.022 5.385 424 HZ1 LYS 49 HZ1 LYS 49 -12.081 -6.015 8.117 425 HZ2 LYS 49 HZ2 LYS 49 -13.235 -5.946 6.876 426 HZ3 LYS 49 HZ3 LYS 49 -12.509 -4.525 7.432 427 H LYS 50 H LYS 50 -10.932 -9.423 1.155 428 HA LYS 50 HA LYS 50 -10.764 -12.254 1.346 429 HB2 LYS 50 HB2 LYS 50 -12.041 -10.457 -0.715 430 HB3 LYS 50 HB3 LYS 50 -12.354 -12.183 -0.555 431 HG2 LYS 50 HG2 LYS 50 -12.992 -10.048 1.476 432 HG3 LYS 50 HG3 LYS 50 -14.145 -10.861 0.419 433 HD2 LYS 50 HD2 LYS 50 -13.681 -12.983 1.503 434 HD3 LYS 50 HD3 LYS 50 -12.449 -12.222 2.512 435 HE2 LYS 50 HE2 LYS 50 -14.528 -12.509 3.750 436 HE3 LYS 50 HE3 LYS 50 -14.156 -10.799 3.529 437 HZ1 LYS 50 HZ1 LYS 50 -16.085 -12.366 1.901 438 HZ2 LYS 50 HZ2 LYS 50 -15.742 -10.721 1.715 439 HZ3 LYS 50 HZ3 LYS 50 -16.494 -11.272 3.124 440 H LEU 51 H LEU 51 -9.590 -9.812 -0.874 441 HA LEU 51 HA LEU 51 -8.500 -11.412 -2.873 442 HB2 LEU 51 HB2 LEU 51 -8.339 -8.662 -1.957 443 HB3 LEU 51 HB3 LEU 51 -6.832 -9.217 -2.622 444 HG LEU 51 HG LEU 51 -7.993 -9.820 -4.698 445 HD11 LEU 51 HD11 LEU 51 -10.250 -10.157 -3.778 446 HD12 LEU 51 HD12 LEU 51 -10.263 -9.000 -5.106 447 HD13 LEU 51 HD13 LEU 51 -10.372 -8.429 -3.441 448 HD21 LEU 51 HD21 LEU 51 -8.264 -6.959 -3.807 449 HD22 LEU 51 HD22 LEU 51 -8.338 -7.511 -5.481 450 HD23 LEU 51 HD23 LEU 51 -6.851 -7.709 -4.554 451 H ASN 52 H ASN 52 -6.718 -9.805 -0.185 452 HA ASN 52 HA ASN 52 -4.341 -11.145 -0.265 453 HB2 ASN 52 HB2 ASN 52 -4.934 -9.382 1.361 454 HB3 ASN 52 HB3 ASN 52 -5.936 -10.535 2.233 455 HD21 ASN 52 HD21 ASN 52 -4.854 -10.611 4.120 456 HD22 ASN 52 HD22 ASN 52 -3.218 -11.150 4.285 457 H ASP 53 H ASP 53 -7.308 -12.298 1.310 458 HA ASP 53 HA ASP 53 -6.213 -14.643 2.421 459 HB2 ASP 53 HB2 ASP 53 -8.361 -13.604 3.123 460 HB3 ASP 53 HB3 ASP 53 -9.086 -14.139 1.612 461 H ALA 54 H ALA 54 -7.789 -14.016 -0.674 462 HA ALA 54 HA ALA 54 -7.965 -16.732 -1.480 463 HB1 ALA 54 HB1 ALA 54 -7.960 -14.243 -3.181 464 HB2 ALA 54 HB2 ALA 54 -9.379 -14.973 -2.430 465 HB3 ALA 54 HB3 ALA 54 -8.496 -15.846 -3.682 466 H GLN 55 H GLN 55 -5.406 -14.414 -1.533 467 HA GLN 55 HA GLN 55 -3.861 -16.112 -3.368 468 HB2 GLN 55 HB2 GLN 55 -3.351 -13.256 -2.531 469 HB3 GLN 55 HB3 GLN 55 -2.400 -14.171 -3.691 470 HG2 GLN 55 HG2 GLN 55 -4.434 -14.369 -5.105 471 HG3 GLN 55 HG3 GLN 55 -5.261 -13.298 -3.977 472 HE21 GLN 55 HE21 GLN 55 -2.810 -13.559 -6.410 473 HE22 GLN 55 HE22 GLN 55 -2.597 -11.862 -6.674 474 H ALA 56 H ALA 56 -4.358 -16.208 -0.306 475 HA ALA 56 HA ALA 56 -1.769 -15.797 0.839 476 HB1 ALA 56 HB1 ALA 56 -4.342 -16.980 1.820 477 HB2 ALA 56 HB2 ALA 56 -3.634 -15.418 2.231 478 HB3 ALA 56 HB3 ALA 56 -2.891 -16.906 2.822 479 H GLY 13 H GLY 13 15.136 -4.200 11.255 480 HA2 GLY 13 HA2 GLY 13 13.010 -3.454 10.375 481 HA3 GLY 13 HA3 GLY 13 13.277 -5.167 10.078 482 H GLY 14 H GLY 14 10.767 -3.595 10.290 483 HA2 GLY 14 HA2 GLY 14 8.787 -4.964 11.047 484 HA3 GLY 14 HA3 GLY 14 9.573 -4.987 12.624 485 H GLU 15 H GLU 15 9.954 -2.104 10.876 486 HA GLU 15 HA GLU 15 8.205 -0.683 12.671 487 HB2 GLU 15 HB2 GLU 15 9.008 1.318 11.381 488 HB3 GLU 15 HB3 GLU 15 10.248 0.399 12.194 489 HG2 GLU 15 HG2 GLU 15 9.622 -0.007 9.319 490 HG3 GLU 15 HG3 GLU 15 10.722 1.255 9.847 491 H ILE 16 H ILE 16 6.594 0.795 11.936 492 HA ILE 16 HA ILE 16 5.092 -0.324 9.672 493 HB ILE 16 HB ILE 16 4.099 1.679 11.708 494 HG12 ILE 16 HG12 ILE 16 3.991 -1.331 11.675 495 HG13 ILE 16 HG13 ILE 16 4.584 -0.283 12.953 496 HG21 ILE 16 HG21 ILE 16 2.646 -0.064 9.720 497 HG22 ILE 16 HG22 ILE 16 2.874 1.681 9.602 498 HG23 ILE 16 HG23 ILE 16 1.884 1.006 10.897 499 HD11 ILE 16 HD11 ILE 16 2.288 0.495 13.352 500 HD12 ILE 16 HD12 ILE 16 2.466 -1.245 13.577 501 HD13 ILE 16 HD13 ILE 16 1.716 -0.619 12.107 502 H VAL 17 H VAL 17 4.720 0.828 7.837 503 HA VAL 17 HA VAL 17 5.808 3.579 7.784 504 HB VAL 17 HB VAL 17 5.926 1.453 5.626 505 HG11 VAL 17 HG11 VAL 17 7.136 2.935 4.244 506 HG12 VAL 17 HG12 VAL 17 7.256 4.145 5.536 507 HG13 VAL 17 HG13 VAL 17 5.693 3.819 4.777 508 HG21 VAL 17 HG21 VAL 17 8.029 2.613 7.411 509 HG22 VAL 17 HG22 VAL 17 8.378 1.680 5.959 510 HG23 VAL 17 HG23 VAL 17 7.500 0.934 7.293 511 H TYR 18 H TYR 18 3.721 4.442 8.182 512 HA TYR 18 HA TYR 18 1.515 3.756 6.468 513 HB2 TYR 18 HB2 TYR 18 1.892 5.722 8.699 514 HB3 TYR 18 HB3 TYR 18 0.488 5.842 7.646 515 HD1 TYR 18 HD1 TYR 18 -0.648 3.378 7.261 516 HD2 TYR 18 HD2 TYR 18 1.517 4.649 10.697 517 HE1 TYR 18 HE1 TYR 18 -1.838 1.707 8.618 518 HE2 TYR 18 HE2 TYR 18 0.337 2.979 12.064 519 HH TYR 18 HH TYR 18 -1.450 0.455 10.752 520 H LEU 19 H LEU 19 0.865 4.742 4.662 521 HA LEU 19 HA LEU 19 2.087 7.285 3.911 522 HB2 LEU 19 HB2 LEU 19 2.334 4.714 2.356 523 HB3 LEU 19 HB3 LEU 19 2.657 6.297 1.666 524 HG LEU 19 HG LEU 19 4.103 5.404 4.140 525 HD11 LEU 19 HD11 LEU 19 4.484 3.615 2.552 526 HD12 LEU 19 HD12 LEU 19 5.933 4.619 2.730 527 HD13 LEU 19 HD13 LEU 19 4.902 4.796 1.305 528 HD21 LEU 19 HD21 LEU 19 4.290 7.721 3.544 529 HD22 LEU 19 HD22 LEU 19 4.735 7.293 1.882 530 HD23 LEU 19 HD23 LEU 19 5.820 6.897 3.221 531 HA PRO 20 HA PRO 20 -2.278 6.726 2.383 532 HB2 PRO 20 HB2 PRO 20 -3.661 8.202 4.120 533 HB3 PRO 20 HB3 PRO 20 -3.161 6.554 4.516 534 HG2 PRO 20 HG2 PRO 20 -2.014 9.150 5.417 535 HG3 PRO 20 HG3 PRO 20 -2.186 7.628 6.306 536 HD2 PRO 20 HD2 PRO 20 0.143 8.556 5.051 537 HD3 PRO 20 HD3 PRO 20 -0.148 6.902 5.625 538 H ASN 21 H ASN 21 -0.157 9.294 2.941 539 HA ASN 21 HA ASN 21 -1.806 11.293 1.619 540 HB2 ASN 21 HB2 ASN 21 1.049 11.458 2.610 541 HB3 ASN 21 HB3 ASN 21 0.121 12.802 1.954 542 HD21 ASN 21 HD21 ASN 21 -1.530 13.706 3.176 543 HD22 ASN 21 HD22 ASN 21 -1.691 13.397 4.870 544 H LEU 22 H LEU 22 0.241 8.799 0.763 545 HA LEU 22 HA LEU 22 1.425 9.897 -1.568 546 HB2 LEU 22 HB2 LEU 22 0.822 7.083 -0.721 547 HB3 LEU 22 HB3 LEU 22 1.591 7.461 -2.249 548 HG LEU 22 HG LEU 22 2.697 8.043 0.499 549 HD11 LEU 22 HD11 LEU 22 3.751 6.200 -1.635 550 HD12 LEU 22 HD12 LEU 22 2.691 5.663 -0.333 551 HD13 LEU 22 HD13 LEU 22 4.271 6.340 0.044 552 HD21 LEU 22 HD21 LEU 22 3.302 9.786 -1.090 553 HD22 LEU 22 HD22 LEU 22 3.883 8.565 -2.222 554 HD23 LEU 22 HD23 LEU 22 4.690 8.783 -0.665 555 H ASN 23 H ASN 23 0.658 10.149 -3.555 556 HA ASN 23 HA ASN 23 -2.142 9.773 -4.056 557 HB2 ASN 23 HB2 ASN 23 0.057 10.407 -6.048 558 HB3 ASN 23 HB3 ASN 23 -1.673 10.568 -6.326 559 HD21 ASN 23 HD21 ASN 23 1.150 12.021 -5.071 560 HD22 ASN 23 HD22 ASN 23 0.431 13.500 -4.559 561 HA PRO 24 HA PRO 24 -2.222 5.502 -5.341 562 HB2 PRO 24 HB2 PRO 24 -3.721 6.678 -7.661 563 HB3 PRO 24 HB3 PRO 24 -4.089 5.235 -6.705 564 HG2 PRO 24 HG2 PRO 24 -5.399 7.486 -6.239 565 HG3 PRO 24 HG3 PRO 24 -4.856 6.478 -4.887 566 HD2 PRO 24 HD2 PRO 24 -3.764 9.066 -5.876 567 HD3 PRO 24 HD3 PRO 24 -3.813 8.418 -4.226 568 H ASP 25 H ASP 25 -1.852 7.834 -8.010 569 HA ASP 25 HA ASP 25 -0.377 6.253 -9.762 570 HB2 ASP 25 HB2 ASP 25 -1.354 8.377 -10.428 571 HB3 ASP 25 HB3 ASP 25 -0.287 9.244 -9.331 572 H GLN 26 H GLN 26 0.717 8.279 -7.088 573 HA GLN 26 HA GLN 26 3.497 8.016 -7.638 574 HB2 GLN 26 HB2 GLN 26 1.976 8.904 -5.189 575 HB3 GLN 26 HB3 GLN 26 3.734 8.829 -5.230 576 HG2 GLN 26 HG2 GLN 26 1.986 10.516 -7.008 577 HG3 GLN 26 HG3 GLN 26 2.940 11.081 -5.643 578 HE21 GLN 26 HE21 GLN 26 5.186 9.332 -6.252 579 HE22 GLN 26 HE22 GLN 26 5.972 10.014 -7.630 580 H LEU 27 H LEU 27 1.428 6.558 -5.110 581 HA LEU 27 HA LEU 27 3.544 4.988 -4.065 582 HB2 LEU 27 HB2 LEU 27 1.710 3.771 -2.840 583 HB3 LEU 27 HB3 LEU 27 1.831 5.492 -2.554 584 HG LEU 27 HG LEU 27 -0.040 5.700 -4.326 585 HD11 LEU 27 HD11 LEU 27 -1.547 3.746 -4.383 586 HD12 LEU 27 HD12 LEU 27 -0.287 2.796 -3.596 587 HD13 LEU 27 HD13 LEU 27 -0.007 3.472 -5.199 588 HD21 LEU 27 HD21 LEU 27 -1.732 5.446 -2.610 589 HD22 LEU 27 HD22 LEU 27 -0.282 6.190 -1.941 590 HD23 LEU 27 HD23 LEU 27 -0.627 4.484 -1.626 591 H CYS 28 H CYS 28 1.376 4.512 -6.687 592 HA CYS 28 HA CYS 28 1.357 1.735 -6.905 593 HB2 CYS 28 HB2 CYS 28 0.049 3.382 -8.303 594 HB3 CYS 28 HB3 CYS 28 1.523 3.677 -9.217 595 H ALA 29 H ALA 29 3.709 4.110 -8.076 596 HA ALA 29 HA ALA 29 5.393 2.319 -9.441 597 HB1 ALA 29 HB1 ALA 29 6.089 4.949 -8.139 598 HB2 ALA 29 HB2 ALA 29 5.470 4.739 -9.777 599 HB3 ALA 29 HB3 ALA 29 7.058 4.104 -9.346 600 H PHE 30 H PHE 30 5.289 3.380 -6.087 601 HA PHE 30 HA PHE 30 7.755 2.175 -5.342 602 HB2 PHE 30 HB2 PHE 30 5.409 3.146 -3.710 603 HB3 PHE 30 HB3 PHE 30 6.881 2.495 -2.992 604 HD1 PHE 30 HD1 PHE 30 5.340 5.349 -4.583 605 HD2 PHE 30 HD2 PHE 30 9.032 3.660 -3.322 606 HE1 PHE 30 HE1 PHE 30 6.398 7.561 -4.742 607 HE2 PHE 30 HE2 PHE 30 10.098 5.867 -3.479 608 HZ PHE 30 HZ PHE 30 8.784 7.823 -4.189 609 H ILE 31 H ILE 31 4.389 1.115 -5.269 610 HA ILE 31 HA ILE 31 4.775 -1.301 -3.890 611 HB ILE 31 HB ILE 31 2.773 -0.626 -6.048 612 HG12 ILE 31 HG12 ILE 31 2.553 -0.680 -3.027 613 HG13 ILE 31 HG13 ILE 31 2.621 0.775 -4.036 614 HG21 ILE 31 HG21 ILE 31 3.070 -3.046 -5.864 615 HG22 ILE 31 HG22 ILE 31 1.492 -2.544 -5.261 616 HG23 ILE 31 HG23 ILE 31 2.779 -2.951 -4.127 617 HD11 ILE 31 HD11 ILE 31 0.509 0.083 -5.096 618 HD12 ILE 31 HD12 ILE 31 0.356 0.347 -3.359 619 HD13 ILE 31 HD13 ILE 31 0.435 -1.298 -3.996 620 H HIS 32 H HIS 32 4.890 -0.583 -7.372 621 HA HIS 32 HA HIS 32 5.583 -3.167 -8.239 622 HB2 HIS 32 HB2 HIS 32 6.160 -0.449 -9.417 623 HB3 HIS 32 HB3 HIS 32 6.674 -1.936 -10.201 624 HD1 HIS 32 HD1 HIS 32 4.897 -3.293 -11.436 625 HD2 HIS 32 HD2 HIS 32 3.367 0.011 -9.437 626 HE1 HIS 32 HE1 HIS 32 2.541 -3.027 -12.270 627 HE2 HIS 32 HE2 HIS 32 1.737 -0.885 -11.228 628 H SER 33 H SER 33 7.507 -0.548 -6.929 629 HA SER 33 HA SER 33 10.042 -1.664 -7.544 630 HB2 SER 33 HB2 SER 33 9.293 0.337 -5.400 631 HB3 SER 33 HB3 SER 33 10.926 0.010 -5.984 632 HG SER 33 HG SER 33 8.750 1.094 -7.459 633 H ILE 34 H ILE 34 7.905 -1.875 -4.719 634 HA ILE 34 HA ILE 34 9.660 -3.396 -3.090 635 HB ILE 34 HB ILE 34 6.631 -3.404 -3.123 636 HG12 ILE 34 HG12 ILE 34 7.592 -1.172 -2.727 637 HG13 ILE 34 HG13 ILE 34 6.793 -1.794 -1.287 638 HG21 ILE 34 HG21 ILE 34 6.801 -4.246 -0.822 639 HG22 ILE 34 HG22 ILE 34 8.554 -4.342 -0.994 640 HG23 ILE 34 HG23 ILE 34 7.513 -5.364 -1.986 641 HD11 ILE 34 HD11 ILE 34 8.883 -0.684 -0.741 642 HD12 ILE 34 HD12 ILE 34 9.754 -1.790 -1.802 643 HD13 ILE 34 HD13 ILE 34 8.959 -2.402 -0.354 644 H HIS 35 H HIS 35 7.382 -4.194 -5.598 645 HA HIS 35 HA HIS 35 7.442 -7.002 -5.357 646 HB2 HIS 35 HB2 HIS 35 5.712 -6.030 -6.681 647 HB3 HIS 35 HB3 HIS 35 6.871 -5.166 -7.685 648 HD1 HIS 35 HD1 HIS 35 7.903 -6.419 -9.658 649 HD2 HIS 35 HD2 HIS 35 5.425 -8.784 -7.294 650 HE1 HIS 35 HE1 HIS 35 7.568 -8.557 -10.939 651 HE2 HIS 35 HE2 HIS 35 5.951 -9.906 -9.564 652 H ASP 36 H ASP 36 9.250 -4.829 -7.522 653 HA ASP 36 HA ASP 36 10.769 -7.013 -8.594 654 HB2 ASP 36 HB2 ASP 36 10.807 -4.039 -9.033 655 HB3 ASP 36 HB3 ASP 36 12.013 -5.094 -9.764 656 H ASP 37 H ASP 37 11.141 -4.953 -5.912 657 HA ASP 37 HA ASP 37 13.709 -6.156 -5.365 658 HB2 ASP 37 HB2 ASP 37 14.065 -3.920 -6.626 659 HB3 ASP 37 HB3 ASP 37 13.573 -3.161 -5.108 660 HA PRO 38 HA PRO 38 11.071 -5.675 -1.604 661 HB2 PRO 38 HB2 PRO 38 11.353 -8.229 -0.774 662 HB3 PRO 38 HB3 PRO 38 10.120 -7.744 -1.942 663 HG2 PRO 38 HG2 PRO 38 12.810 -8.978 -2.442 664 HG3 PRO 38 HG3 PRO 38 11.239 -9.407 -3.148 665 HD2 PRO 38 HD2 PRO 38 13.015 -7.865 -4.469 666 HD3 PRO 38 HD3 PRO 38 11.266 -7.617 -4.612 667 H SER 39 H SER 39 14.306 -6.292 -2.366 668 HA SER 39 HA SER 39 15.211 -6.575 0.359 669 HB2 SER 39 HB2 SER 39 17.481 -6.018 -0.975 670 HB3 SER 39 HB3 SER 39 16.761 -7.627 -0.937 671 HG SER 39 HG SER 39 16.197 -5.687 -2.949 672 H GLN 40 H GLN 40 15.116 -4.013 -2.095 673 HA GLN 40 HA GLN 40 16.155 -2.019 -0.318 674 HB2 GLN 40 HB2 GLN 40 14.690 -1.766 -2.945 675 HB3 GLN 40 HB3 GLN 40 15.535 -0.462 -2.116 676 HG2 GLN 40 HG2 GLN 40 16.903 -2.989 -2.915 677 HG3 GLN 40 HG3 GLN 40 16.736 -1.634 -4.013 678 HE21 GLN 40 HE21 GLN 40 17.877 0.267 -3.603 679 HE22 GLN 40 HE22 GLN 40 19.190 0.324 -2.475 680 H SER 41 H SER 41 13.413 -3.656 -0.150 681 HA SER 41 HA SER 41 11.180 -2.194 -0.213 682 HB2 SER 41 HB2 SER 41 11.351 -4.529 0.612 683 HB3 SER 41 HB3 SER 41 11.928 -3.912 2.160 684 HG SER 41 HG SER 41 9.395 -3.555 0.961 685 H ALA 42 H ALA 42 13.227 -2.170 2.735 686 HA ALA 42 HA ALA 42 11.942 -0.181 4.143 687 HB1 ALA 42 HB1 ALA 42 13.989 0.099 5.370 688 HB2 ALA 42 HB2 ALA 42 14.917 -0.613 4.052 689 HB3 ALA 42 HB3 ALA 42 13.792 -1.609 4.975 690 H ASN 43 H ASN 43 14.377 0.132 1.645 691 HA ASN 43 HA ASN 43 14.702 2.948 1.936 692 HB2 ASN 43 HB2 ASN 43 16.534 1.684 1.051 693 HB3 ASN 43 HB3 ASN 43 15.533 1.023 -0.236 694 HD21 ASN 43 HD21 ASN 43 15.154 2.234 -2.059 695 HD22 ASN 43 HD22 ASN 43 15.955 3.731 -2.384 696 H LEU 44 H LEU 44 12.754 0.886 -0.206 697 HA LEU 44 HA LEU 44 11.799 3.030 -1.800 698 HB2 LEU 44 HB2 LEU 44 10.643 0.321 -1.178 699 HB3 LEU 44 HB3 LEU 44 9.784 1.480 -2.164 700 HG LEU 44 HG LEU 44 10.756 0.426 -3.876 701 HD11 LEU 44 HD11 LEU 44 13.189 1.914 -2.925 702 HD12 LEU 44 HD12 LEU 44 11.923 2.528 -3.990 703 HD13 LEU 44 HD13 LEU 44 12.976 1.216 -4.531 704 HD21 LEU 44 HD21 LEU 44 11.483 -1.451 -2.590 705 HD22 LEU 44 HD22 LEU 44 12.881 -0.559 -1.991 706 HD23 LEU 44 HD23 LEU 44 12.774 -0.989 -3.698 707 H LEU 45 H LEU 45 10.871 1.700 1.324 708 HA LEU 45 HA LEU 45 8.503 3.248 1.565 709 HB2 LEU 45 HB2 LEU 45 10.234 1.691 3.462 710 HB3 LEU 45 HB3 LEU 45 8.838 2.573 3.995 711 HG LEU 45 HG LEU 45 8.738 0.479 1.897 712 HD11 LEU 45 HD11 LEU 45 8.123 0.155 4.793 713 HD12 LEU 45 HD12 LEU 45 9.570 -0.435 3.977 714 HD13 LEU 45 HD13 LEU 45 7.988 -1.078 3.537 715 HD21 LEU 45 HD21 LEU 45 6.437 0.513 2.051 716 HD22 LEU 45 HD22 LEU 45 6.896 2.216 2.096 717 HD23 LEU 45 HD23 LEU 45 6.473 1.374 3.585 718 H ALA 46 H ALA 46 11.858 3.617 2.593 719 HA ALA 46 HA ALA 46 11.573 5.981 4.076 720 HB1 ALA 46 HB1 ALA 46 13.937 5.073 2.430 721 HB2 ALA 46 HB2 ALA 46 13.606 4.616 4.100 722 HB3 ALA 46 HB3 ALA 46 13.966 6.295 3.702 723 H GLU 47 H GLU 47 12.156 5.428 0.642 724 HA GLU 47 HA GLU 47 12.360 8.120 -0.159 725 HB2 GLU 47 HB2 GLU 47 13.082 6.242 -1.553 726 HB3 GLU 47 HB3 GLU 47 11.424 5.681 -1.687 727 HG2 GLU 47 HG2 GLU 47 11.999 6.771 -3.709 728 HG3 GLU 47 HG3 GLU 47 10.866 7.807 -2.841 729 H ALA 48 H ALA 48 9.594 5.883 -0.169 730 HA ALA 48 HA ALA 48 7.687 7.715 -1.132 731 HB1 ALA 48 HB1 ALA 48 6.030 6.123 -0.400 732 HB2 ALA 48 HB2 ALA 48 7.209 5.321 0.634 733 HB3 ALA 48 HB3 ALA 48 7.393 5.267 -1.120 734 H LYS 49 H LYS 49 8.829 6.992 2.099 735 HA LYS 49 HA LYS 49 6.825 8.382 3.519 736 HB2 LYS 49 HB2 LYS 49 9.407 7.129 4.111 737 HB3 LYS 49 HB3 LYS 49 8.989 8.468 5.172 738 HG2 LYS 49 HG2 LYS 49 7.155 6.140 4.608 739 HG3 LYS 49 HG3 LYS 49 8.285 6.204 5.974 740 HD2 LYS 49 HD2 LYS 49 7.193 8.370 6.641 741 HD3 LYS 49 HD3 LYS 49 5.967 8.046 5.417 742 HE2 LYS 49 HE2 LYS 49 5.369 5.975 6.545 743 HE3 LYS 49 HE3 LYS 49 6.631 6.251 7.746 744 HZ1 LYS 49 HZ1 LYS 49 5.467 8.318 8.367 745 HZ2 LYS 49 HZ2 LYS 49 4.538 6.934 8.638 746 HZ3 LYS 49 HZ3 LYS 49 4.212 7.915 7.303 747 H LYS 50 H LYS 50 9.681 9.459 1.882 748 HA LYS 50 HA LYS 50 9.725 12.075 3.021 749 HB2 LYS 50 HB2 LYS 50 10.670 11.176 0.291 750 HB3 LYS 50 HB3 LYS 50 11.117 12.672 1.097 751 HG2 LYS 50 HG2 LYS 50 11.826 9.884 1.985 752 HG3 LYS 50 HG3 LYS 50 12.909 11.048 1.221 753 HD2 LYS 50 HD2 LYS 50 12.557 12.566 3.151 754 HD3 LYS 50 HD3 LYS 50 11.585 11.310 3.921 755 HE2 LYS 50 HE2 LYS 50 14.494 11.095 3.147 756 HE3 LYS 50 HE3 LYS 50 13.864 11.288 4.781 757 HZ1 LYS 50 HZ1 LYS 50 12.780 9.146 4.589 758 HZ2 LYS 50 HZ2 LYS 50 14.435 8.986 4.295 759 HZ3 LYS 50 HZ3 LYS 50 13.344 8.964 3.004 760 H LEU 51 H LEU 51 8.287 10.609 0.159 761 HA LEU 51 HA LEU 51 7.140 12.867 -1.003 762 HB2 LEU 51 HB2 LEU 51 7.451 10.270 -1.634 763 HB3 LEU 51 HB3 LEU 51 5.760 10.264 -1.197 764 HG LEU 51 HG LEU 51 6.881 12.144 -3.250 765 HD11 LEU 51 HD11 LEU 51 7.363 9.812 -3.835 766 HD12 LEU 51 HD12 LEU 51 6.181 10.544 -4.926 767 HD13 LEU 51 HD13 LEU 51 5.649 9.428 -3.663 768 HD21 LEU 51 HD21 LEU 51 4.704 12.783 -2.389 769 HD22 LEU 51 HD22 LEU 51 4.093 11.149 -2.646 770 HD23 LEU 51 HD23 LEU 51 4.526 12.154 -4.028 771 H ASN 52 H ASN 52 5.617 10.384 1.096 772 HA ASN 52 HA ASN 52 3.090 11.610 1.145 773 HB2 ASN 52 HB2 ASN 52 2.492 9.787 2.306 774 HB3 ASN 52 HB3 ASN 52 4.159 9.245 2.142 775 HD21 ASN 52 HD21 ASN 52 1.778 10.625 4.269 776 HD22 ASN 52 HD22 ASN 52 2.685 10.450 5.727 777 H ASP 53 H ASP 53 5.947 12.145 3.099 778 HA ASP 53 HA ASP 53 4.622 13.664 5.119 779 HB2 ASP 53 HB2 ASP 53 6.757 12.569 5.586 780 HB3 ASP 53 HB3 ASP 53 7.546 13.549 4.355 781 H ALA 54 H ALA 54 6.221 14.360 2.119 782 HA ALA 54 HA ALA 54 6.244 17.182 2.344 783 HB1 ALA 54 HB1 ALA 54 6.709 17.124 -0.050 784 HB2 ALA 54 HB2 ALA 54 6.267 15.417 -0.087 785 HB3 ALA 54 HB3 ALA 54 7.684 15.939 0.819 786 H GLN 55 H GLN 55 4.060 14.864 0.808 787 HA GLN 55 HA GLN 55 2.243 16.956 -0.030 788 HB2 GLN 55 HB2 GLN 55 2.042 13.948 -0.243 789 HB3 GLN 55 HB3 GLN 55 0.917 15.087 -0.967 790 HG2 GLN 55 HG2 GLN 55 3.854 14.957 -1.604 791 HG3 GLN 55 HG3 GLN 55 2.590 14.172 -2.547 792 HE21 GLN 55 HE21 GLN 55 3.116 15.348 -4.379 793 HE22 GLN 55 HE22 GLN 55 2.725 17.024 -4.547 794 H ALA 56 H ALA 56 2.829 15.726 2.861 795 HA ALA 56 HA ALA 56 0.258 14.964 3.808 796 HB1 ALA 56 HB1 ALA 56 2.312 14.279 4.922 797 HB2 ALA 56 HB2 ALA 56 1.266 15.170 6.033 798 HB3 ALA 56 HB3 ALA 56 2.671 15.958 5.313
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