NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26494 | 2kl7 | 16386 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 7.569 5.028 -11.305 2 H2 SER 1 2H SER 1 6.665 3.777 -12.010 3 H3 SER 1 3H SER 1 5.904 4.908 -11.009 4 HA SER 1 HA SER 1 5.436 5.321 -13.342 5 HB2 SER 1 2HB SER 1 7.158 7.428 -12.003 6 HB3 SER 1 1HB SER 1 6.023 7.725 -13.321 7 HG SER 1 HG SER 1 5.518 7.671 -10.716 8 H ASP 2 H ASP 2 6.352 4.278 -15.081 9 HA ASP 2 HA ASP 2 9.192 4.723 -15.686 10 HB2 ASP 2 2HB ASP 2 7.152 2.830 -16.872 11 HB3 ASP 2 1HB ASP 2 8.815 2.964 -17.436 12 H VAL 3 H VAL 3 6.090 4.844 -17.486 13 HA VAL 3 HA VAL 3 7.287 6.772 -19.360 14 HB VAL 3 HB VAL 3 5.993 4.799 -20.234 15 HG11 VAL 3 1HG1 VAL 3 4.248 4.698 -18.533 16 HG12 VAL 3 2HG1 VAL 3 3.543 4.845 -20.142 17 HG13 VAL 3 3HG1 VAL 3 3.606 6.249 -19.075 18 HG21 VAL 3 3HG2 VAL 3 4.751 6.069 -21.940 19 HG22 VAL 3 1HG2 VAL 3 6.343 6.764 -21.635 20 HG23 VAL 3 2HG2 VAL 3 4.904 7.528 -20.960 21 H ASN 4 H ASN 4 5.636 6.787 -16.494 22 HA ASN 4 HA ASN 4 3.737 8.895 -16.981 23 HB2 ASN 4 2HB ASN 4 4.691 7.954 -14.275 24 HB3 ASN 4 1HB ASN 4 3.131 8.661 -14.696 25 HD21 ASN 4 1HD2 ASN 4 1.583 7.373 -15.704 26 HD22 ASN 4 2HD2 ASN 4 1.714 5.652 -15.749 27 H GLU 5 H GLU 5 3.877 11.046 -16.434 28 HA GLU 5 HA GLU 5 6.546 12.073 -15.722 29 HB2 GLU 5 2HB GLU 5 4.156 13.606 -16.775 30 HB3 GLU 5 1HB GLU 5 5.804 14.202 -16.611 31 HG2 GLU 5 2HG GLU 5 6.536 12.514 -18.273 32 HG3 GLU 5 1HG GLU 5 4.852 12.040 -18.483 33 H CYS 6 H CYS 6 6.088 14.474 -14.619 34 HA CYS 6 HA CYS 6 5.256 13.819 -11.943 35 HB2 CYS 6 2HB CYS 6 6.231 16.392 -13.195 36 HB3 CYS 6 1HB CYS 6 5.824 16.248 -11.488 37 H LEU 7 H LEU 7 3.142 13.869 -14.058 38 HA LEU 7 HA LEU 7 1.418 16.063 -13.162 39 HB2 LEU 7 2HB LEU 7 -0.046 15.283 -15.071 40 HB3 LEU 7 1HB LEU 7 1.513 15.951 -15.506 41 HG LEU 7 HG LEU 7 2.351 13.551 -15.720 42 HD11 LEU 7 1HD1 LEU 7 0.641 11.829 -16.146 43 HD12 LEU 7 2HD1 LEU 7 -0.605 12.957 -15.608 44 HD13 LEU 7 3HD1 LEU 7 0.626 12.395 -14.475 45 HD21 LEU 7 3HD2 LEU 7 1.865 14.948 -17.657 46 HD22 LEU 7 1HD2 LEU 7 0.168 14.476 -17.584 47 HD23 LEU 7 2HD2 LEU 7 1.401 13.273 -17.960 48 H THR 8 H THR 8 2.042 13.088 -12.067 49 HA THR 8 HA THR 8 -0.433 11.757 -11.937 50 HB THR 8 HB THR 8 1.696 10.618 -11.469 51 HG1 THR 8 HG1 THR 8 -0.076 9.565 -10.654 52 HG21 THR 8 3HG2 THR 8 2.780 10.872 -9.267 53 HG22 THR 8 1HG2 THR 8 1.679 12.194 -8.883 54 HG23 THR 8 2HG2 THR 8 2.840 12.367 -10.200 55 H ILE 9 H ILE 9 -1.825 11.401 -10.101 56 HA ILE 9 HA ILE 9 -2.342 13.878 -8.628 57 HB ILE 9 HB ILE 9 -4.014 11.368 -8.935 58 HG12 ILE 9 2HG1 ILE 9 -3.785 12.654 -11.017 59 HG13 ILE 9 1HG1 ILE 9 -5.430 12.756 -10.396 60 HG21 ILE 9 1HG2 ILE 9 -4.504 12.462 -6.810 61 HG22 ILE 9 2HG2 ILE 9 -5.848 12.652 -7.936 62 HG23 ILE 9 3HG2 ILE 9 -4.748 14.000 -7.641 63 HD11 ILE 9 3HD1 ILE 9 -4.969 14.980 -9.518 64 HD12 ILE 9 1HD1 ILE 9 -4.648 14.896 -11.248 65 HD13 ILE 9 2HD1 ILE 9 -3.307 14.874 -10.102 66 HA PRO 10 HA PRO 10 -0.587 12.198 -4.866 67 HB2 PRO 10 2HB PRO 10 -1.664 13.939 -3.076 68 HB3 PRO 10 1HB PRO 10 -0.353 14.379 -4.178 69 HG2 PRO 10 2HG PRO 10 -3.304 14.878 -4.455 70 HG3 PRO 10 1HG PRO 10 -1.953 15.999 -4.718 71 HD2 PRO 10 2HD PRO 10 -3.184 14.755 -6.766 72 HD3 PRO 10 1HD PRO 10 -1.441 15.097 -6.791 73 H GLU 11 H GLU 11 -2.956 10.771 -5.794 74 HA GLU 11 HA GLU 11 -4.630 10.356 -3.492 75 HB2 GLU 11 2HB GLU 11 -4.352 8.837 -6.088 76 HB3 GLU 11 1HB GLU 11 -5.441 8.332 -4.801 77 HG2 GLU 11 2HG GLU 11 -6.499 10.615 -4.949 78 HG3 GLU 11 1HG GLU 11 -5.537 10.878 -6.401 79 H ALA 12 H ALA 12 -1.496 9.653 -3.886 80 HA ALA 12 HA ALA 12 -1.649 7.319 -2.078 81 HB1 ALA 12 3HB ALA 12 0.710 8.327 -3.683 82 HB2 ALA 12 1HB ALA 12 -0.285 6.926 -4.079 83 HB3 ALA 12 2HB ALA 12 0.710 6.918 -2.622 84 H CYS 13 H CYS 13 -0.201 7.381 -0.160 85 HA CYS 13 HA CYS 13 -0.078 10.127 0.902 86 HB2 CYS 13 2HB CYS 13 0.034 7.445 2.312 87 HB3 CYS 13 1HB CYS 13 0.102 9.004 3.120 88 H LYS 14 H LYS 14 1.804 11.144 1.323 89 HA LYS 14 HA LYS 14 4.339 9.788 1.023 90 HB2 LYS 14 2HB LYS 14 4.016 12.135 0.274 91 HB3 LYS 14 1HB LYS 14 3.794 12.621 1.950 92 HG2 LYS 14 2HG LYS 14 6.063 11.971 2.484 93 HG3 LYS 14 1HG LYS 14 6.295 11.343 0.851 94 HD2 LYS 14 2HD LYS 14 5.935 13.626 -0.043 95 HD3 LYS 14 1HD LYS 14 5.792 14.227 1.610 96 HE2 LYS 14 2HE LYS 14 8.078 13.530 2.080 97 HE3 LYS 14 1HE LYS 14 8.225 12.852 0.460 98 HZ1 LYS 14 3HZ LYS 14 9.255 15.041 0.629 99 HZ2 LYS 14 1HZ LYS 14 7.775 15.722 1.085 100 HZ3 LYS 14 2HZ LYS 14 7.959 15.067 -0.464 101 H GLY 15 H GLY 15 5.357 8.703 2.619 102 HA2 GLY 15 2HA GLY 15 6.225 8.423 4.810 103 HA3 GLY 15 1HA GLY 15 5.049 9.580 5.410 104 H GLU 16 H GLU 16 3.130 7.858 3.598 105 HA GLU 16 HA GLU 16 2.824 5.550 5.404 106 HB2 GLU 16 2HB GLU 16 0.545 7.138 4.181 107 HB3 GLU 16 1HB GLU 16 0.390 5.735 5.226 108 HG2 GLU 16 2HG GLU 16 1.508 7.058 7.033 109 HG3 GLU 16 1HG GLU 16 1.414 8.464 5.972 110 H MET 17 H MET 17 1.869 3.670 4.393 111 HA MET 17 HA MET 17 2.552 3.473 1.568 112 HB2 MET 17 2HB MET 17 1.812 1.382 3.617 113 HB3 MET 17 1HB MET 17 2.164 1.020 1.935 114 HG2 MET 17 2HG MET 17 4.419 1.995 2.242 115 HG3 MET 17 1HG MET 17 4.051 2.214 3.953 116 HE1 MET 17 3HE MET 17 3.180 0.143 5.452 117 HE2 MET 17 1HE MET 17 3.388 -1.546 4.995 118 HE3 MET 17 2HE MET 17 2.178 -0.556 4.178 119 H LYS 18 H LYS 18 1.170 2.798 -0.020 120 HA LYS 18 HA LYS 18 -1.635 3.470 0.432 121 HB2 LYS 18 2HB LYS 18 -0.452 4.559 -1.393 122 HB3 LYS 18 1HB LYS 18 -0.021 3.002 -2.086 123 HG2 LYS 18 2HG LYS 18 -2.436 2.567 -2.482 124 HG3 LYS 18 1HG LYS 18 -2.786 4.197 -1.896 125 HD2 LYS 18 2HD LYS 18 -1.447 5.163 -3.676 126 HD3 LYS 18 1HD LYS 18 -0.961 3.558 -4.221 127 HE2 LYS 18 2HE LYS 18 -3.394 3.086 -4.667 128 HE3 LYS 18 1HE LYS 18 -3.713 4.790 -4.339 129 HZ1 LYS 18 3HZ LYS 18 -1.897 3.755 -6.450 130 HZ2 LYS 18 1HZ LYS 18 -2.230 5.385 -6.147 131 HZ3 LYS 18 2HZ LYS 18 -3.454 4.363 -6.705 132 H CYS 19 H CYS 19 -2.858 1.794 1.111 133 HA CYS 19 HA CYS 19 -2.476 -0.880 -0.090 134 HB2 CYS 19 2HB CYS 19 -4.120 -0.160 2.351 135 HB3 CYS 19 1HB CYS 19 -3.696 -1.776 1.804 136 H ILE 20 H ILE 20 -3.821 -1.363 -1.725 137 HA ILE 20 HA ILE 20 -6.579 -0.298 -1.652 138 HB ILE 20 HB ILE 20 -6.497 -0.042 -4.126 139 HG12 ILE 20 2HG1 ILE 20 -3.509 -0.444 -3.773 140 HG13 ILE 20 1HG1 ILE 20 -4.601 -1.589 -4.546 141 HG21 ILE 20 1HG2 ILE 20 -6.224 1.898 -2.680 142 HG22 ILE 20 2HG2 ILE 20 -5.236 2.065 -4.130 143 HG23 ILE 20 3HG2 ILE 20 -4.485 1.616 -2.600 144 HD11 ILE 20 3HD1 ILE 20 -5.068 0.017 -6.303 145 HD12 ILE 20 1HD1 ILE 20 -3.336 -0.284 -6.168 146 HD13 ILE 20 2HD1 ILE 20 -4.025 1.202 -5.516 147 H ASN 21 H ASN 21 -8.201 -1.598 -2.589 148 HA ASN 21 HA ASN 21 -7.435 -4.406 -2.991 149 HB2 ASN 21 2HB ASN 21 -9.845 -4.912 -2.814 150 HB3 ASN 21 1HB ASN 21 -9.253 -4.039 -1.407 151 HD21 ASN 21 1HD2 ASN 21 -11.360 -3.381 -0.906 152 HD22 ASN 21 2HD2 ASN 21 -12.160 -2.144 -1.805 153 H HIS 22 H HIS 22 -9.175 -5.470 -4.674 154 HA HIS 22 HA HIS 22 -8.305 -4.412 -7.212 155 HB2 HIS 22 2HB HIS 22 -10.135 -6.758 -6.639 156 HB3 HIS 22 1HB HIS 22 -9.318 -6.420 -8.163 157 HD1 HIS 22 HD1 HIS 22 -8.734 -7.789 -4.745 158 HD2 HIS 22 HD2 HIS 22 -6.556 -7.025 -8.194 159 HE1 HIS 22 HE1 HIS 22 -6.523 -8.905 -4.397 160 HE2 HIS 22 HE2 HIS 22 -5.148 -8.208 -6.382 161 H TYR 23 H TYR 23 -10.952 -3.786 -5.242 162 HA TYR 23 HA TYR 23 -12.824 -3.176 -7.378 163 HB2 TYR 23 2HB TYR 23 -12.962 -2.889 -4.375 164 HB3 TYR 23 1HB TYR 23 -14.227 -2.278 -5.438 165 HD1 TYR 23 HD1 TYR 23 -12.277 -5.425 -4.893 166 HD2 TYR 23 HD2 TYR 23 -16.046 -3.667 -5.817 167 HE1 TYR 23 HE1 TYR 23 -13.298 -7.648 -4.944 168 HE2 TYR 23 HE2 TYR 23 -17.080 -5.897 -5.857 169 HH TYR 23 HH TYR 23 -15.485 -8.676 -4.686 170 H GLY 24 H GLY 24 -10.389 -1.531 -5.548 171 HA2 GLY 24 2HA GLY 24 -9.578 0.588 -6.488 172 HA3 GLY 24 1HA GLY 24 -11.254 1.056 -6.708 173 H GLY 25 H GLY 25 -11.196 -0.465 -3.796 174 HA2 GLY 25 2HA GLY 25 -11.586 1.840 -2.236 175 HA3 GLY 25 1HA GLY 25 -11.267 0.232 -1.609 176 H TYR 26 H TYR 26 -10.279 3.118 -1.044 177 HA TYR 26 HA TYR 26 -7.375 2.690 -1.356 178 HB2 TYR 26 2HB TYR 26 -8.101 4.618 -2.564 179 HB3 TYR 26 1HB TYR 26 -9.055 5.197 -1.206 180 HD1 TYR 26 HD2 TYR 26 -5.486 4.359 -2.014 181 HD2 TYR 26 HD1 TYR 26 -8.181 6.937 0.050 182 HE1 TYR 26 HE2 TYR 26 -3.600 5.762 -1.303 183 HE2 TYR 26 HE1 TYR 26 -6.298 8.350 0.755 184 HH TYR 26 HH TYR 26 -3.764 8.009 1.108 185 H LEU 27 H LEU 27 -6.105 2.526 0.377 186 HA LEU 27 HA LEU 27 -6.903 3.742 2.934 187 HB2 LEU 27 2HB LEU 27 -5.973 0.884 2.571 188 HB3 LEU 27 1HB LEU 27 -6.056 1.697 4.123 189 HG LEU 27 HG LEU 27 -8.437 1.169 2.330 190 HD11 LEU 27 1HD1 LEU 27 -9.059 -0.543 3.961 191 HD12 LEU 27 2HD1 LEU 27 -7.559 -0.257 4.844 192 HD13 LEU 27 3HD1 LEU 27 -7.509 -0.914 3.208 193 HD21 LEU 27 3HD2 LEU 27 -8.272 2.204 5.164 194 HD22 LEU 27 1HD2 LEU 27 -9.756 1.824 4.288 195 HD23 LEU 27 2HD2 LEU 27 -8.721 3.141 3.739 196 H CYS 28 H CYS 28 -5.149 4.404 4.244 197 HA CYS 28 HA CYS 28 -2.435 3.912 3.173 198 HB2 CYS 28 2HB CYS 28 -3.572 6.452 4.331 199 HB3 CYS 28 1HB CYS 28 -1.837 6.145 4.339 200 H LEU 29 H LEU 29 -1.011 3.005 4.507 201 HA LEU 29 HA LEU 29 -1.660 2.841 7.388 202 HB2 LEU 29 2HB LEU 29 -0.286 0.834 5.589 203 HB3 LEU 29 1HB LEU 29 -0.337 0.690 7.334 204 HG LEU 29 HG LEU 29 -2.720 0.623 5.465 205 HD11 LEU 29 1HD1 LEU 29 -2.937 -1.698 6.228 206 HD12 LEU 29 2HD1 LEU 29 -1.457 -1.526 7.173 207 HD13 LEU 29 3HD1 LEU 29 -1.397 -1.423 5.412 208 HD21 LEU 29 3HD2 LEU 29 -3.298 1.721 7.574 209 HD22 LEU 29 1HD2 LEU 29 -2.627 0.360 8.474 210 HD23 LEU 29 2HD2 LEU 29 -4.052 0.130 7.458 211 HA PRO 30 HA PRO 30 2.167 4.853 8.460 212 HB2 PRO 30 2HB PRO 30 3.041 3.093 10.466 213 HB3 PRO 30 1HB PRO 30 1.976 4.482 10.698 214 HG2 PRO 30 2HG PRO 30 1.283 1.594 10.363 215 HG3 PRO 30 1HG PRO 30 0.544 2.809 11.424 216 HD2 PRO 30 2HD PRO 30 -0.670 2.043 9.173 217 HD3 PRO 30 1HD PRO 30 -0.700 3.747 9.679 218 H ARG 31 H ARG 31 4.147 4.807 7.550 219 HA ARG 31 HA ARG 31 4.945 2.604 5.939 220 HB2 ARG 31 2HB ARG 31 5.369 5.039 5.461 221 HB3 ARG 31 1HB ARG 31 6.611 5.011 6.705 222 HG2 ARG 31 2HG ARG 31 7.784 3.235 5.393 223 HG3 ARG 31 1HG ARG 31 6.591 3.468 4.112 224 HD2 ARG 31 2HD ARG 31 7.255 5.878 4.036 225 HD3 ARG 31 1HD ARG 31 8.551 5.509 5.174 226 HE ARG 31 HE ARG 31 8.472 4.913 2.364 227 HH11 ARG 31 1HH1 ARG 31 9.902 4.044 5.384 228 HH12 ARG 31 2HH1 ARG 31 11.296 3.349 4.633 229 HH21 ARG 31 1HH2 ARG 31 10.261 4.012 1.432 230 HH22 ARG 31 2HH2 ARG 31 11.489 3.321 2.436 231 H SER 32 H SER 32 5.101 2.656 9.156 232 HA SER 32 HA SER 32 7.677 2.007 9.961 233 HB2 SER 32 2HB SER 32 5.846 2.316 11.558 234 HB3 SER 32 1HB SER 32 5.059 0.853 10.969 235 HG SER 32 HG SER 32 7.443 1.112 12.467 236 H ALA 33 H ALA 33 5.208 -0.095 8.520 237 HA ALA 33 HA ALA 33 7.041 -2.355 8.400 238 HB1 ALA 33 3HB ALA 33 4.657 -2.750 8.854 239 HB2 ALA 33 1HB ALA 33 5.176 -3.555 7.373 240 HB3 ALA 33 2HB ALA 33 4.246 -2.059 7.284 241 H ALA 34 H ALA 34 8.549 -2.411 6.830 242 HA ALA 34 HA ALA 34 8.268 -0.727 4.478 243 HB1 ALA 34 3HB ALA 34 10.576 -2.475 5.341 244 HB2 ALA 34 1HB ALA 34 10.387 -0.757 5.696 245 HB3 ALA 34 2HB ALA 34 10.598 -1.295 4.030 246 H VAL 35 H VAL 35 7.931 -1.388 2.412 247 HA VAL 35 HA VAL 35 7.111 -4.088 1.910 248 HB VAL 35 HB VAL 35 6.894 -3.317 -0.493 249 HG11 VAL 35 1HG1 VAL 35 5.491 -1.679 1.628 250 HG12 VAL 35 2HG1 VAL 35 5.002 -3.272 1.047 251 HG13 VAL 35 3HG1 VAL 35 4.950 -1.883 -0.039 252 HG21 VAL 35 3HG2 VAL 35 7.663 -0.643 0.701 253 HG22 VAL 35 1HG2 VAL 35 7.034 -0.897 -0.927 254 HG23 VAL 35 2HG2 VAL 35 8.603 -1.562 -0.473 255 H ILE 36 H ILE 36 8.987 -5.291 2.429 256 HA ILE 36 HA ILE 36 11.141 -5.174 0.411 257 HB ILE 36 HB ILE 36 12.585 -6.198 2.328 258 HG12 ILE 36 2HG1 ILE 36 11.933 -5.273 4.583 259 HG13 ILE 36 1HG1 ILE 36 10.357 -4.879 3.914 260 HG21 ILE 36 1HG2 ILE 36 13.242 -3.948 3.062 261 HG22 ILE 36 2HG2 ILE 36 11.770 -3.293 2.343 262 HG23 ILE 36 3HG2 ILE 36 13.000 -4.032 1.317 263 HD11 ILE 36 3HD1 ILE 36 9.922 -7.235 3.521 264 HD12 ILE 36 1HD1 ILE 36 10.311 -6.932 5.214 265 HD13 ILE 36 2HD1 ILE 36 11.519 -7.645 4.145 266 H ASN 37 H ASN 37 12.541 -7.447 1.094 267 HA ASN 37 HA ASN 37 11.269 -9.467 -0.331 268 HB2 ASN 37 2HB ASN 37 13.729 -9.219 0.057 269 HB3 ASN 37 1HB ASN 37 13.494 -9.812 1.696 270 HD21 ASN 37 1HD2 ASN 37 12.907 -11.992 1.996 271 HD22 ASN 37 2HD2 ASN 37 13.164 -13.166 0.756 272 H ASP 38 H ASP 38 10.807 -11.727 0.430 273 HA ASP 38 HA ASP 38 8.684 -11.759 2.244 274 HB2 ASP 38 2HB ASP 38 8.606 -14.141 1.931 275 HB3 ASP 38 1HB ASP 38 9.060 -13.417 0.394 276 H LEU 39 H LEU 39 8.450 -12.285 4.351 277 HA LEU 39 HA LEU 39 10.898 -12.660 5.946 278 HB2 LEU 39 2HB LEU 39 8.124 -11.790 6.786 279 HB3 LEU 39 1HB LEU 39 9.505 -11.937 7.858 280 HG LEU 39 HG LEU 39 9.276 -9.996 5.546 281 HD11 LEU 39 1HD1 LEU 39 9.193 -8.275 7.294 282 HD12 LEU 39 2HD1 LEU 39 9.152 -9.537 8.527 283 HD13 LEU 39 3HD1 LEU 39 7.819 -9.378 7.382 284 HD21 LEU 39 3HD2 LEU 39 11.583 -10.708 5.888 285 HD22 LEU 39 1HD2 LEU 39 11.462 -10.329 7.607 286 HD23 LEU 39 2HD2 LEU 39 11.363 -9.039 6.408 287 H HIS 40 H HIS 40 10.271 -14.926 4.670 288 HA HIS 40 HA HIS 40 8.424 -16.658 5.920 289 HB2 HIS 40 2HB HIS 40 9.406 -18.406 4.664 290 HB3 HIS 40 1HB HIS 40 9.606 -16.966 3.673 291 HD1 HIS 40 HD1 HIS 40 11.416 -19.816 4.683 292 HD2 HIS 40 HD2 HIS 40 12.395 -15.795 4.273 293 HE1 HIS 40 HE1 HIS 40 13.920 -19.748 4.512 294 HE2 HIS 40 HE2 HIS 40 14.496 -17.310 4.423 295 H GLY 41 H GLY 41 11.322 -15.436 7.137 296 HA2 GLY 41 2HA GLY 41 11.358 -16.457 9.616 297 HA3 GLY 41 1HA GLY 41 12.075 -17.772 8.695 298 H GLU 42 H GLU 42 13.985 -17.428 10.000 299 HA GLU 42 HA GLU 42 15.489 -14.972 9.401 300 HB2 GLU 42 2HB GLU 42 16.989 -15.796 11.298 301 HB3 GLU 42 1HB GLU 42 15.373 -15.270 11.735 302 HG2 GLU 42 2HG GLU 42 15.860 -17.231 12.986 303 HG3 GLU 42 1HG GLU 42 14.661 -17.656 11.768 304 H GLY 43 H GLY 43 18.017 -15.492 9.523 305 HA2 GLY 43 2HA GLY 43 19.864 -16.547 8.652 306 HA3 GLY 43 1HA GLY 43 18.891 -17.990 8.458 307 HA PRO 44 HA PRO 44 19.554 -16.987 4.153 308 HB2 PRO 44 2HB PRO 44 18.900 -19.347 3.099 309 HB3 PRO 44 1HB PRO 44 20.326 -19.172 4.129 310 HG2 PRO 44 2HG PRO 44 17.638 -20.302 4.790 311 HG3 PRO 44 1HG PRO 44 19.243 -20.853 5.302 312 HD2 PRO 44 2HD PRO 44 17.503 -19.255 6.809 313 HD3 PRO 44 1HD PRO 44 19.237 -19.471 7.116 314 HA PRO 45 HA PRO 45 15.348 -16.101 2.610 315 HB2 PRO 45 2HB PRO 45 16.718 -14.494 0.593 316 HB3 PRO 45 1HB PRO 45 15.617 -13.967 1.868 317 HG2 PRO 45 2HG PRO 45 18.272 -13.374 1.874 318 HG3 PRO 45 1HG PRO 45 17.326 -13.573 3.361 319 HD2 PRO 45 2HD PRO 45 19.157 -15.535 2.006 320 HD3 PRO 45 1HD PRO 45 19.012 -15.139 3.735 321 HA PRO 46 HA PRO 46 15.594 -19.237 -0.559 322 HB2 PRO 46 2HB PRO 46 13.103 -19.035 -1.606 323 HB3 PRO 46 1HB PRO 46 13.402 -19.695 0.007 324 HG2 PRO 46 2HG PRO 46 12.541 -16.923 -0.773 325 HG3 PRO 46 1HG PRO 46 11.888 -17.977 0.497 326 HD2 PRO 46 2HD PRO 46 13.642 -15.986 1.032 327 HD3 PRO 46 1HD PRO 46 13.626 -17.503 1.959 328 HA PRO 47 HA PRO 47 16.779 -17.312 -4.438 329 HB2 PRO 47 2HB PRO 47 16.073 -19.397 -6.140 330 HB3 PRO 47 1HB PRO 47 17.601 -19.277 -5.261 331 HG2 PRO 47 2HG PRO 47 15.128 -20.817 -4.572 332 HG3 PRO 47 1HG PRO 47 16.829 -21.293 -4.407 333 HD2 PRO 47 2HD PRO 47 15.399 -20.493 -2.283 334 HD3 PRO 47 1HD PRO 47 17.115 -20.058 -2.452 335 H VAL 48 H VAL 48 13.670 -19.056 -4.388 336 HA VAL 48 HA VAL 48 12.482 -16.875 -5.991 337 HB VAL 48 HB VAL 48 11.411 -19.680 -5.572 338 HG11 VAL 48 1HG1 VAL 48 9.616 -18.056 -5.890 339 HG12 VAL 48 2HG1 VAL 48 9.776 -19.090 -7.309 340 HG13 VAL 48 3HG1 VAL 48 10.408 -17.443 -7.343 341 HG21 VAL 48 3HG2 VAL 48 12.717 -18.427 -7.993 342 HG22 VAL 48 1HG2 VAL 48 11.956 -20.017 -7.952 343 HG23 VAL 48 2HG2 VAL 48 13.394 -19.704 -6.981 344 HA PRO 49 HA PRO 49 10.799 -15.988 -1.859 345 HB2 PRO 49 2HB PRO 49 9.996 -13.451 -2.425 346 HB3 PRO 49 1HB PRO 49 11.672 -13.870 -2.051 347 HG2 PRO 49 2HG PRO 49 10.379 -13.444 -4.723 348 HG3 PRO 49 1HG PRO 49 11.950 -12.864 -4.137 349 HD2 PRO 49 2HD PRO 49 11.708 -15.032 -5.741 350 HD3 PRO 49 1HD PRO 49 12.983 -14.895 -4.514 351 HA PRO 50 HA PRO 50 6.513 -16.984 -2.949 352 HB2 PRO 50 2HB PRO 50 5.602 -17.224 -0.398 353 HB3 PRO 50 1HB PRO 50 6.561 -18.480 -1.191 354 HG2 PRO 50 2HG PRO 50 7.456 -16.340 0.716 355 HG3 PRO 50 1HG PRO 50 7.862 -18.068 0.713 356 HD2 PRO 50 2HD PRO 50 9.545 -16.208 -0.281 357 HD3 PRO 50 1HD PRO 50 9.414 -17.828 -0.995 358 H ALA 51 H ALA 51 7.752 -14.201 -1.513 359 HA ALA 51 HA ALA 51 5.306 -12.730 -2.073 360 HB1 ALA 51 3HB ALA 51 6.585 -12.632 0.667 361 HB2 ALA 51 1HB ALA 51 5.014 -13.332 0.277 362 HB3 ALA 51 2HB ALA 51 5.271 -11.596 0.105 363 H GLN 52 H GLN 52 6.201 -11.430 -3.601 364 HA GLN 52 HA GLN 52 8.757 -10.160 -3.319 365 HB2 GLN 52 2HB GLN 52 6.442 -9.520 -5.171 366 HB3 GLN 52 1HB GLN 52 8.062 -8.846 -5.310 367 HG2 GLN 52 2HG GLN 52 7.454 -11.793 -5.454 368 HG3 GLN 52 1HG GLN 52 7.552 -10.743 -6.864 369 HE21 GLN 52 1HE2 GLN 52 9.254 -11.968 -7.681 370 HE22 GLN 52 2HE2 GLN 52 10.852 -11.874 -7.037 371 H HIS 53 H HIS 53 5.482 -9.370 -2.488 372 HA HIS 53 HA HIS 53 6.475 -7.019 -1.012 373 HB2 HIS 53 2HB HIS 53 3.866 -7.322 -2.514 374 HB3 HIS 53 1HB HIS 53 4.106 -6.087 -1.281 375 HD1 HIS 53 HD1 HIS 53 5.358 -7.096 -4.707 376 HD2 HIS 53 HD2 HIS 53 5.478 -3.847 -2.119 377 HE1 HIS 53 HE1 HIS 53 6.367 -5.222 -6.026 378 HE2 HIS 53 HE2 HIS 53 6.191 -3.215 -4.525 379 HA PRO 54 HA PRO 54 5.448 -9.474 2.530 380 HB2 PRO 54 2HB PRO 54 4.993 -7.322 4.269 381 HB3 PRO 54 1HB PRO 54 6.548 -8.096 3.948 382 HG2 PRO 54 2HG PRO 54 5.386 -5.607 2.764 383 HG3 PRO 54 1HG PRO 54 7.063 -5.955 3.231 384 HD2 PRO 54 2HD PRO 54 6.326 -5.989 0.669 385 HD3 PRO 54 1HD PRO 54 7.474 -7.192 1.297 386 H ASN 55 H ASN 55 3.222 -7.085 1.304 387 HA ASN 55 HA ASN 55 1.039 -6.586 1.683 388 HB2 ASN 55 2HB ASN 55 1.031 -9.573 2.105 389 HB3 ASN 55 1HB ASN 55 -0.449 -8.628 2.204 390 HD21 ASN 55 1HD2 ASN 55 -1.278 -7.685 0.337 391 HD22 ASN 55 2HD2 ASN 55 -0.750 -8.162 -1.237 392 HA PRO 56 HA PRO 56 1.453 -6.347 6.382 393 HB2 PRO 56 2HB PRO 56 1.670 -3.617 6.432 394 HB3 PRO 56 1HB PRO 56 3.067 -4.700 6.390 395 HG2 PRO 56 2HG PRO 56 1.743 -3.232 4.134 396 HG3 PRO 56 1HG PRO 56 3.473 -3.414 4.485 397 HD2 PRO 56 2HD PRO 56 2.242 -4.908 2.615 398 HD3 PRO 56 1HD PRO 56 3.548 -5.569 3.622 399 H CYS 57 H CYS 57 -0.309 -4.982 3.754 400 HA CYS 57 HA CYS 57 -2.521 -4.002 5.373 401 HB2 CYS 57 2HB CYS 57 -2.678 -4.340 2.390 402 HB3 CYS 57 1HB CYS 57 -3.370 -3.079 3.402 403 HA PRO 58 HA PRO 58 -4.624 -7.887 5.859 404 HB2 PRO 58 2HB PRO 58 -7.016 -6.232 5.122 405 HB3 PRO 58 1HB PRO 58 -6.817 -7.392 6.444 406 HG2 PRO 58 2HG PRO 58 -6.665 -4.785 6.931 407 HG3 PRO 58 1HG PRO 58 -5.551 -5.913 7.726 408 HD2 PRO 58 2HD PRO 58 -5.039 -4.002 5.495 409 HD3 PRO 58 1HD PRO 58 -3.949 -4.556 6.783 410 HA PRO 59 HA PRO 59 -4.521 -9.640 1.735 411 HB2 PRO 59 2HB PRO 59 -6.406 -11.661 2.535 412 HB3 PRO 59 1HB PRO 59 -4.662 -11.814 2.328 413 HG2 PRO 59 2HG PRO 59 -6.235 -11.376 4.793 414 HG3 PRO 59 1HG PRO 59 -4.633 -12.107 4.593 415 HD2 PRO 59 2HD PRO 59 -4.949 -9.670 5.683 416 HD3 PRO 59 1HD PRO 59 -3.553 -10.050 4.651 417 H GLY 60 H GLY 60 -5.678 -9.311 -0.075 418 HA2 GLY 60 2HA GLY 60 -7.735 -8.972 -1.303 419 HA3 GLY 60 1HA GLY 60 -8.489 -8.418 0.189 420 H TYR 61 H TYR 61 -6.440 -6.729 1.097 421 HA TYR 61 HA TYR 61 -6.409 -4.575 -0.908 422 HB2 TYR 61 2HB TYR 61 -5.939 -4.553 2.082 423 HB3 TYR 61 1HB TYR 61 -5.651 -3.154 1.055 424 HD1 TYR 61 HD2 TYR 61 -8.219 -5.301 2.569 425 HD2 TYR 61 HD1 TYR 61 -7.510 -1.908 0.092 426 HE1 TYR 61 HE2 TYR 61 -10.578 -4.651 2.794 427 HE2 TYR 61 HE1 TYR 61 -9.867 -1.247 0.315 428 HH TYR 61 HH TYR 61 -11.902 -2.443 2.633 429 H GLU 62 H GLU 62 -4.664 -4.790 -2.199 430 HA GLU 62 HA GLU 62 -2.137 -5.774 -1.108 431 HB2 GLU 62 2HB GLU 62 -1.436 -5.835 -3.516 432 HB3 GLU 62 1HB GLU 62 -2.828 -6.840 -3.137 433 HG2 GLU 62 2HG GLU 62 -4.292 -5.003 -3.996 434 HG3 GLU 62 1HG GLU 62 -2.835 -4.168 -4.524 435 HA PRO 63 HA PRO 63 -0.288 -1.713 -0.866 436 HB2 PRO 63 2HB PRO 63 2.286 -3.101 -1.344 437 HB3 PRO 63 1HB PRO 63 1.771 -2.136 0.042 438 HG2 PRO 63 2HG PRO 63 2.009 -4.799 0.212 439 HG3 PRO 63 1HG PRO 63 0.720 -3.930 1.070 440 HD2 PRO 63 2HD PRO 63 0.575 -5.488 -1.493 441 HD3 PRO 63 1HD PRO 63 -0.562 -5.461 -0.128 442 H ASP 64 H ASP 64 -0.101 -0.224 -2.428 443 HA ASP 64 HA ASP 64 0.585 -1.070 -5.155 444 HB2 ASP 64 2HB ASP 64 -1.521 0.158 -4.864 445 HB3 ASP 64 1HB ASP 64 -0.655 1.505 -4.134 446 H ASP 65 H ASP 65 2.291 -0.110 -6.325 447 HA ASP 65 HA ASP 65 4.438 0.826 -4.636 448 HB2 ASP 65 2HB ASP 65 4.364 0.355 -7.628 449 HB3 ASP 65 1HB ASP 65 5.812 0.706 -6.687 450 H GLN 66 H GLN 66 4.555 2.868 -4.071 451 HA GLN 66 HA GLN 66 3.426 4.965 -5.767 452 HB2 GLN 66 2HB GLN 66 3.776 6.380 -3.687 453 HB3 GLN 66 1HB GLN 66 2.622 5.060 -3.546 454 HG2 GLN 66 2HG GLN 66 4.422 3.690 -2.482 455 HG3 GLN 66 1HG GLN 66 5.451 5.118 -2.498 456 HE21 GLN 66 1HE2 GLN 66 3.245 6.931 -1.883 457 HE22 GLN 66 2HE2 GLN 66 2.882 6.683 -0.214 458 H ASP 67 H ASP 67 4.895 5.433 -7.319 459 HA ASP 67 HA ASP 67 7.564 6.377 -6.470 460 HB2 ASP 67 2HB ASP 67 7.681 4.496 -8.018 461 HB3 ASP 67 1HB ASP 67 6.628 5.328 -9.155 462 H SER 68 H SER 68 7.515 8.551 -6.243 463 HA SER 68 HA SER 68 6.125 10.126 -8.327 464 HB2 SER 68 2HB SER 68 4.995 10.445 -6.205 465 HB3 SER 68 1HB SER 68 6.525 10.823 -5.408 466 HG SER 68 HG SER 68 5.325 12.712 -5.993 467 H CYS 69 H CYS 69 7.119 11.909 -9.168 468 HA CYS 69 HA CYS 69 10.014 12.105 -8.738 469 HB2 CYS 69 2HB CYS 69 9.903 13.510 -10.866 470 HB3 CYS 69 1HB CYS 69 9.489 11.808 -11.030 471 H VAL 70 H VAL 70 7.305 13.624 -7.550 472 HA VAL 70 HA VAL 70 8.740 15.836 -6.487 473 HB VAL 70 HB VAL 70 8.450 16.605 -8.868 474 HG11 VAL 70 1HG1 VAL 70 6.254 15.632 -9.301 475 HG12 VAL 70 2HG1 VAL 70 6.246 17.369 -9.606 476 HG13 VAL 70 3HG1 VAL 70 5.522 16.730 -8.129 477 HG21 VAL 70 3HG2 VAL 70 7.678 18.885 -8.275 478 HG22 VAL 70 1HG2 VAL 70 8.838 18.233 -7.119 479 HG23 VAL 70 2HG2 VAL 70 7.120 18.266 -6.719 480 H ASP 71 H ASP 71 7.415 17.220 -5.091 481 HA ASP 71 HA ASP 71 5.013 15.877 -4.105 482 HB2 ASP 71 2HB ASP 71 6.547 18.251 -3.008 483 HB3 ASP 71 1HB ASP 71 5.172 17.484 -2.221 Start of MODEL 2 1 H1 SER 1 1H SER 1 -1.305 7.539 -12.541 2 H2 SER 1 2H SER 1 -0.832 6.262 -13.543 3 H3 SER 1 3H SER 1 -0.137 7.791 -13.737 4 HA SER 1 HA SER 1 0.910 7.647 -11.580 5 HB2 SER 1 2HB SER 1 0.740 5.640 -10.217 6 HB3 SER 1 1HB SER 1 -0.885 6.231 -10.564 7 HG SER 1 HG SER 1 0.018 3.825 -10.983 8 H ASP 2 H ASP 2 1.238 6.706 -14.561 9 HA ASP 2 HA ASP 2 3.643 5.078 -14.067 10 HB2 ASP 2 2HB ASP 2 3.147 4.059 -16.392 11 HB3 ASP 2 1HB ASP 2 2.208 3.505 -15.011 12 H VAL 3 H VAL 3 2.348 6.657 -17.028 13 HA VAL 3 HA VAL 3 5.044 7.428 -17.738 14 HB VAL 3 HB VAL 3 4.067 8.241 -19.847 15 HG11 VAL 3 1HG1 VAL 3 3.302 6.071 -20.697 16 HG12 VAL 3 2HG1 VAL 3 3.110 5.490 -19.042 17 HG13 VAL 3 3HG1 VAL 3 4.714 5.898 -19.655 18 HG21 VAL 3 3HG2 VAL 3 1.418 7.424 -18.633 19 HG22 VAL 3 1HG2 VAL 3 1.671 7.876 -20.320 20 HG23 VAL 3 2HG2 VAL 3 1.922 9.066 -19.041 21 H ASN 4 H ASN 4 2.209 9.019 -16.457 22 HA ASN 4 HA ASN 4 3.329 11.677 -16.957 23 HB2 ASN 4 2HB ASN 4 0.853 11.091 -17.262 24 HB3 ASN 4 1HB ASN 4 0.752 11.063 -15.505 25 HD21 ASN 4 1HD2 ASN 4 2.783 13.282 -17.333 26 HD22 ASN 4 2HD2 ASN 4 1.884 14.702 -16.929 27 H GLU 5 H GLU 5 3.060 13.258 -14.983 28 HA GLU 5 HA GLU 5 4.670 12.063 -12.841 29 HB2 GLU 5 2HB GLU 5 4.159 14.992 -13.396 30 HB3 GLU 5 1HB GLU 5 5.394 14.314 -12.341 31 HG2 GLU 5 2HG GLU 5 6.430 13.253 -14.346 32 HG3 GLU 5 1HG GLU 5 5.252 14.106 -15.343 33 H CYS 6 H CYS 6 4.333 13.796 -10.756 34 HA CYS 6 HA CYS 6 1.745 12.928 -9.724 35 HB2 CYS 6 2HB CYS 6 3.816 12.636 -8.379 36 HB3 CYS 6 1HB CYS 6 3.983 14.384 -8.288 37 H LEU 7 H LEU 7 2.263 15.378 -11.615 38 HA LEU 7 HA LEU 7 1.355 17.642 -10.154 39 HB2 LEU 7 2HB LEU 7 1.122 18.772 -12.227 40 HB3 LEU 7 1HB LEU 7 2.552 17.769 -12.343 41 HG LEU 7 HG LEU 7 -0.128 17.036 -13.550 42 HD11 LEU 7 1HD1 LEU 7 0.779 19.062 -14.586 43 HD12 LEU 7 2HD1 LEU 7 0.819 17.691 -15.692 44 HD13 LEU 7 3HD1 LEU 7 2.301 18.223 -14.898 45 HD21 LEU 7 3HD2 LEU 7 1.213 15.425 -14.858 46 HD22 LEU 7 1HD2 LEU 7 1.233 15.088 -13.129 47 HD23 LEU 7 2HD2 LEU 7 2.627 15.853 -13.893 48 H THR 8 H THR 8 -0.257 14.853 -10.988 49 HA THR 8 HA THR 8 -2.899 15.920 -11.406 50 HB THR 8 HB THR 8 -2.331 13.709 -12.287 51 HG1 THR 8 HG1 THR 8 -4.089 12.531 -10.869 52 HG21 THR 8 3HG2 THR 8 -2.000 11.789 -10.774 53 HG22 THR 8 1HG2 THR 8 -2.008 12.887 -9.393 54 HG23 THR 8 2HG2 THR 8 -0.725 12.995 -10.599 55 H ILE 9 H ILE 9 -4.621 14.712 -9.779 56 HA ILE 9 HA ILE 9 -4.322 16.016 -7.244 57 HB ILE 9 HB ILE 9 -6.393 13.984 -8.125 58 HG12 ILE 9 2HG1 ILE 9 -6.378 15.949 -9.593 59 HG13 ILE 9 1HG1 ILE 9 -7.827 15.932 -8.595 60 HG21 ILE 9 1HG2 ILE 9 -6.335 14.168 -5.711 61 HG22 ILE 9 2HG2 ILE 9 -7.789 14.952 -6.328 62 HG23 ILE 9 3HG2 ILE 9 -6.413 15.927 -5.811 63 HD11 ILE 9 3HD1 ILE 9 -5.374 17.609 -8.105 64 HD12 ILE 9 1HD1 ILE 9 -6.835 17.600 -7.116 65 HD13 ILE 9 2HD1 ILE 9 -6.903 18.169 -8.784 66 HA PRO 10 HA PRO 10 -1.702 13.113 -5.107 67 HB2 PRO 10 2HB PRO 10 -3.691 13.709 -2.931 68 HB3 PRO 10 1HB PRO 10 -1.927 13.593 -2.835 69 HG2 PRO 10 2HG PRO 10 -3.120 15.976 -2.978 70 HG3 PRO 10 1HG PRO 10 -1.601 15.665 -3.840 71 HD2 PRO 10 2HD PRO 10 -4.346 15.983 -4.911 72 HD3 PRO 10 1HD PRO 10 -2.785 16.266 -5.705 73 H GLU 11 H GLU 11 -2.042 11.118 -5.979 74 HA GLU 11 HA GLU 11 -4.471 9.614 -5.425 75 HB2 GLU 11 2HB GLU 11 -2.017 8.909 -7.054 76 HB3 GLU 11 1HB GLU 11 -3.463 7.915 -6.934 77 HG2 GLU 11 2HG GLU 11 -4.778 9.745 -7.940 78 HG3 GLU 11 1HG GLU 11 -3.300 10.690 -8.107 79 H ALA 12 H ALA 12 -1.893 10.170 -3.588 80 HA ALA 12 HA ALA 12 -2.150 7.619 -2.185 81 HB1 ALA 12 3HB ALA 12 0.545 8.773 -2.919 82 HB2 ALA 12 1HB ALA 12 -0.182 7.334 -3.631 83 HB3 ALA 12 2HB ALA 12 0.262 7.344 -1.923 84 H CYS 13 H CYS 13 -0.925 7.759 -0.003 85 HA CYS 13 HA CYS 13 -1.483 10.403 1.168 86 HB2 CYS 13 2HB CYS 13 -1.131 7.692 2.477 87 HB3 CYS 13 1HB CYS 13 -1.460 9.186 3.346 88 H LYS 14 H LYS 14 0.104 11.640 2.100 89 HA LYS 14 HA LYS 14 2.836 10.932 1.533 90 HB2 LYS 14 2HB LYS 14 2.086 13.239 1.229 91 HB3 LYS 14 1HB LYS 14 1.692 13.358 2.939 92 HG2 LYS 14 2HG LYS 14 4.005 13.167 3.554 93 HG3 LYS 14 1HG LYS 14 4.469 12.837 1.884 94 HD2 LYS 14 2HD LYS 14 3.729 15.099 1.246 95 HD3 LYS 14 1HD LYS 14 3.280 15.420 2.923 96 HE2 LYS 14 2HE LYS 14 5.569 15.227 3.634 97 HE3 LYS 14 1HE LYS 14 6.072 14.682 2.037 98 HZ1 LYS 14 3HZ LYS 14 5.053 17.377 2.742 99 HZ2 LYS 14 1HZ LYS 14 5.397 16.865 1.168 100 HZ3 LYS 14 2HZ LYS 14 6.636 16.973 2.309 101 H GLY 15 H GLY 15 4.413 10.247 2.905 102 HA2 GLY 15 2HA GLY 15 5.434 9.554 4.860 103 HA3 GLY 15 1HA GLY 15 4.190 10.401 5.766 104 H GLU 16 H GLU 16 2.655 8.415 3.606 105 HA GLU 16 HA GLU 16 2.551 6.124 5.460 106 HB2 GLU 16 2HB GLU 16 0.190 7.424 4.071 107 HB3 GLU 16 1HB GLU 16 0.116 5.942 5.014 108 HG2 GLU 16 2HG GLU 16 0.805 7.198 7.011 109 HG3 GLU 16 1HG GLU 16 0.829 8.681 6.059 110 H MET 17 H MET 17 1.764 4.123 4.438 111 HA MET 17 HA MET 17 2.670 3.905 1.663 112 HB2 MET 17 2HB MET 17 1.868 1.755 3.633 113 HB3 MET 17 1HB MET 17 2.570 1.476 2.046 114 HG2 MET 17 2HG MET 17 4.613 2.654 2.785 115 HG3 MET 17 1HG MET 17 3.903 2.824 4.389 116 HE1 MET 17 3HE MET 17 2.297 -0.123 4.199 117 HE2 MET 17 1HE MET 17 2.930 0.587 5.688 118 HE3 MET 17 2HE MET 17 3.390 -1.052 5.225 119 H LYS 18 H LYS 18 1.342 3.378 -0.028 120 HA LYS 18 HA LYS 18 -1.533 3.467 0.460 121 HB2 LYS 18 2HB LYS 18 -0.654 4.904 -1.295 122 HB3 LYS 18 1HB LYS 18 0.062 3.522 -2.115 123 HG2 LYS 18 2HG LYS 18 -2.157 2.617 -2.566 124 HG3 LYS 18 1HG LYS 18 -2.894 3.970 -1.704 125 HD2 LYS 18 2HD LYS 18 -2.039 5.534 -3.346 126 HD3 LYS 18 1HD LYS 18 -1.153 4.247 -4.164 127 HE2 LYS 18 2HE LYS 18 -3.269 3.149 -4.734 128 HE3 LYS 18 1HE LYS 18 -4.161 4.415 -3.897 129 HZ1 LYS 18 3HZ LYS 18 -3.253 6.019 -5.489 130 HZ2 LYS 18 1HZ LYS 18 -4.159 4.815 -6.258 131 HZ3 LYS 18 2HZ LYS 18 -2.469 4.770 -6.313 132 H CYS 19 H CYS 19 -2.517 1.624 0.901 133 HA CYS 19 HA CYS 19 -1.561 -0.895 -0.303 134 HB2 CYS 19 2HB CYS 19 -3.404 -0.480 2.069 135 HB3 CYS 19 1HB CYS 19 -2.821 -2.032 1.478 136 H ILE 20 H ILE 20 -2.611 -1.260 -2.174 137 HA ILE 20 HA ILE 20 -5.561 -1.125 -2.147 138 HB ILE 20 HB ILE 20 -5.570 -0.547 -4.528 139 HG12 ILE 20 2HG1 ILE 20 -2.566 -0.197 -4.262 140 HG13 ILE 20 1HG1 ILE 20 -3.348 -1.541 -5.088 141 HG21 ILE 20 1HG2 ILE 20 -3.979 1.387 -2.842 142 HG22 ILE 20 2HG2 ILE 20 -5.735 1.241 -2.896 143 HG23 ILE 20 3HG2 ILE 20 -4.851 1.790 -4.318 144 HD11 ILE 20 3HD1 ILE 20 -2.567 0.133 -6.659 145 HD12 ILE 20 1HD1 ILE 20 -3.553 1.360 -5.864 146 HD13 ILE 20 2HD1 ILE 20 -4.326 0.010 -6.695 147 H ASN 21 H ASN 21 -6.597 -2.595 -3.730 148 HA ASN 21 HA ASN 21 -4.921 -4.920 -4.413 149 HB2 ASN 21 2HB ASN 21 -6.777 -6.428 -3.748 150 HB3 ASN 21 1HB ASN 21 -6.089 -5.535 -2.396 151 HD21 ASN 21 1HD2 ASN 21 -7.960 -5.859 -1.185 152 HD22 ASN 21 2HD2 ASN 21 -9.415 -4.982 -1.502 153 H HIS 22 H HIS 22 -6.302 -6.503 -5.834 154 HA HIS 22 HA HIS 22 -6.854 -5.059 -8.232 155 HB2 HIS 22 2HB HIS 22 -7.435 -7.982 -7.684 156 HB3 HIS 22 1HB HIS 22 -7.201 -7.216 -9.253 157 HD1 HIS 22 HD1 HIS 22 -5.330 -8.574 -6.326 158 HD2 HIS 22 HD2 HIS 22 -4.514 -6.694 -9.939 159 HE1 HIS 22 HE1 HIS 22 -2.860 -8.814 -6.667 160 HE2 HIS 22 HE2 HIS 22 -2.368 -7.487 -8.742 161 H TYR 23 H TYR 23 -8.767 -5.928 -5.562 162 HA TYR 23 HA TYR 23 -11.309 -6.034 -6.901 163 HB2 TYR 23 2HB TYR 23 -10.853 -7.187 -4.739 164 HB3 TYR 23 1HB TYR 23 -10.690 -5.619 -3.961 165 HD1 TYR 23 HD1 TYR 23 -13.101 -7.804 -5.760 166 HD2 TYR 23 HD2 TYR 23 -12.595 -4.482 -3.139 167 HE1 TYR 23 HE1 TYR 23 -15.516 -7.800 -5.307 168 HE2 TYR 23 HE2 TYR 23 -15.011 -4.473 -2.681 169 HH TYR 23 HH TYR 23 -17.048 -7.025 -3.491 170 H GLY 24 H GLY 24 -9.272 -3.508 -5.658 171 HA2 GLY 24 2HA GLY 24 -9.632 -1.273 -6.528 172 HA3 GLY 24 1HA GLY 24 -11.360 -1.538 -6.390 173 H GLY 25 H GLY 25 -9.716 -2.711 -3.668 174 HA2 GLY 25 2HA GLY 25 -10.811 -0.683 -1.960 175 HA3 GLY 25 1HA GLY 25 -9.794 -2.023 -1.461 176 H TYR 26 H TYR 26 -9.823 0.967 -0.848 177 HA TYR 26 HA TYR 26 -6.974 1.489 -1.451 178 HB2 TYR 26 2HB TYR 26 -8.281 3.018 -2.772 179 HB3 TYR 26 1HB TYR 26 -9.283 3.445 -1.390 180 HD1 TYR 26 HD2 TYR 26 -5.880 3.772 -2.836 181 HD2 TYR 26 HD1 TYR 26 -8.607 5.174 0.123 182 HE1 TYR 26 HE2 TYR 26 -4.372 5.648 -2.336 183 HE2 TYR 26 HE1 TYR 26 -7.104 7.053 0.624 184 HH TYR 26 HH TYR 26 -4.664 7.568 0.407 185 H LEU 27 H LEU 27 -5.783 1.408 0.349 186 HA LEU 27 HA LEU 27 -6.827 2.682 2.803 187 HB2 LEU 27 2HB LEU 27 -5.230 0.116 2.655 188 HB3 LEU 27 1HB LEU 27 -5.637 0.958 4.139 189 HG LEU 27 HG LEU 27 -7.624 -0.315 2.239 190 HD11 LEU 27 1HD1 LEU 27 -6.704 -1.170 4.986 191 HD12 LEU 27 2HD1 LEU 27 -6.303 -1.964 3.462 192 HD13 LEU 27 3HD1 LEU 27 -7.973 -1.938 4.030 193 HD21 LEU 27 3HD2 LEU 27 -8.060 1.009 4.921 194 HD22 LEU 27 1HD2 LEU 27 -9.285 0.171 3.966 195 HD23 LEU 27 2HD2 LEU 27 -8.554 1.654 3.356 196 H CYS 28 H CYS 28 -5.246 3.640 4.179 197 HA CYS 28 HA CYS 28 -2.516 3.866 3.069 198 HB2 CYS 28 2HB CYS 28 -4.207 6.052 4.295 199 HB3 CYS 28 1HB CYS 28 -2.459 6.187 4.129 200 H LEU 29 H LEU 29 -1.211 2.762 4.363 201 HA LEU 29 HA LEU 29 -1.802 2.616 7.245 202 HB2 LEU 29 2HB LEU 29 -0.139 0.837 5.457 203 HB3 LEU 29 1HB LEU 29 -0.262 0.633 7.193 204 HG LEU 29 HG LEU 29 -2.519 0.359 5.194 205 HD11 LEU 29 1HD1 LEU 29 -2.507 -1.986 5.835 206 HD12 LEU 29 2HD1 LEU 29 -1.164 -1.700 6.942 207 HD13 LEU 29 3HD1 LEU 29 -0.932 -1.514 5.203 208 HD21 LEU 29 3HD2 LEU 29 -3.887 -0.346 7.107 209 HD22 LEU 29 1HD2 LEU 29 -3.350 1.326 7.272 210 HD23 LEU 29 2HD2 LEU 29 -2.562 0.052 8.201 211 HA PRO 30 HA PRO 30 1.785 4.905 8.542 212 HB2 PRO 30 2HB PRO 30 2.800 3.178 10.484 213 HB3 PRO 30 1HB PRO 30 1.523 4.371 10.747 214 HG2 PRO 30 2HG PRO 30 1.295 1.438 10.203 215 HG3 PRO 30 1HG PRO 30 0.361 2.448 11.323 216 HD2 PRO 30 2HD PRO 30 -0.670 1.684 8.975 217 HD3 PRO 30 1HD PRO 30 -0.981 3.311 9.618 218 H ARG 31 H ARG 31 3.835 5.095 7.782 219 HA ARG 31 HA ARG 31 4.882 2.934 6.159 220 HB2 ARG 31 2HB ARG 31 4.819 5.359 5.463 221 HB3 ARG 31 1HB ARG 31 6.091 5.668 6.635 222 HG2 ARG 31 2HG ARG 31 7.634 4.279 5.433 223 HG3 ARG 31 1HG ARG 31 6.357 3.720 4.347 224 HD2 ARG 31 2HD ARG 31 6.068 6.161 3.678 225 HD3 ARG 31 1HD ARG 31 7.584 6.467 4.528 226 HE ARG 31 HE ARG 31 8.572 4.784 2.937 227 HH11 ARG 31 1HH1 ARG 31 5.782 6.619 2.114 228 HH12 ARG 31 2HH1 ARG 31 6.110 6.579 0.422 229 HH21 ARG 31 1HH2 ARG 31 8.957 4.703 0.719 230 HH22 ARG 31 2HH2 ARG 31 7.844 5.480 -0.357 231 H SER 32 H SER 32 5.001 3.202 9.296 232 HA SER 32 HA SER 32 7.702 3.064 10.073 233 HB2 SER 32 2HB SER 32 5.956 3.431 11.719 234 HB3 SER 32 1HB SER 32 5.236 1.863 11.357 235 HG SER 32 HG SER 32 7.789 2.348 12.515 236 H ALA 33 H ALA 33 5.960 0.873 8.198 237 HA ALA 33 HA ALA 33 7.340 -1.524 9.075 238 HB1 ALA 33 3HB ALA 33 6.100 -2.641 7.286 239 HB2 ALA 33 1HB ALA 33 5.522 -1.080 6.701 240 HB3 ALA 33 2HB ALA 33 5.024 -1.665 8.287 241 H ALA 34 H ALA 34 8.721 -2.782 7.651 242 HA ALA 34 HA ALA 34 10.632 -1.037 6.340 243 HB1 ALA 34 3HB ALA 34 10.764 -4.003 6.878 244 HB2 ALA 34 1HB ALA 34 11.413 -2.733 7.916 245 HB3 ALA 34 2HB ALA 34 12.093 -2.993 6.309 246 H VAL 35 H VAL 35 10.754 -0.707 4.220 247 HA VAL 35 HA VAL 35 9.169 -2.354 2.407 248 HB VAL 35 HB VAL 35 9.752 -0.648 0.676 249 HG11 VAL 35 1HG1 VAL 35 8.504 0.389 3.229 250 HG12 VAL 35 2HG1 VAL 35 7.677 -0.479 1.935 251 HG13 VAL 35 3HG1 VAL 35 8.332 1.133 1.637 252 HG21 VAL 35 3HG2 VAL 35 11.887 0.138 1.594 253 HG22 VAL 35 1HG2 VAL 35 11.046 0.812 2.991 254 HG23 VAL 35 2HG2 VAL 35 10.758 1.478 1.382 255 H ILE 36 H ILE 36 10.251 -4.246 2.171 256 HA ILE 36 HA ILE 36 12.785 -4.125 0.651 257 HB ILE 36 HB ILE 36 13.480 -6.262 1.614 258 HG12 ILE 36 2HG1 ILE 36 11.154 -7.112 2.122 259 HG13 ILE 36 1HG1 ILE 36 12.337 -7.393 3.391 260 HG21 ILE 36 1HG2 ILE 36 12.844 -4.203 3.727 261 HG22 ILE 36 2HG2 ILE 36 14.263 -4.233 2.680 262 HG23 ILE 36 3HG2 ILE 36 14.029 -5.501 3.884 263 HD11 ILE 36 3HD1 ILE 36 10.188 -6.718 4.297 264 HD12 ILE 36 1HD1 ILE 36 10.251 -5.221 3.370 265 HD13 ILE 36 2HD1 ILE 36 11.425 -5.514 4.654 266 H ASN 37 H ASN 37 12.707 -7.043 0.179 267 HA ASN 37 HA ASN 37 10.541 -7.167 -1.789 268 HB2 ASN 37 2HB ASN 37 11.726 -9.234 -2.559 269 HB3 ASN 37 1HB ASN 37 12.728 -7.784 -2.606 270 HD21 ASN 37 1HD2 ASN 37 14.402 -7.564 -1.138 271 HD22 ASN 37 2HD2 ASN 37 15.009 -8.901 -0.233 272 H ASP 38 H ASP 38 10.257 -10.011 -1.864 273 HA ASP 38 HA ASP 38 8.227 -10.382 0.061 274 HB2 ASP 38 2HB ASP 38 8.175 -12.743 -0.792 275 HB3 ASP 38 1HB ASP 38 8.034 -11.508 -2.037 276 H LEU 39 H LEU 39 11.616 -11.379 0.034 277 HA LEU 39 HA LEU 39 11.420 -12.948 2.430 278 HB2 LEU 39 2HB LEU 39 13.818 -11.652 1.115 279 HB3 LEU 39 1HB LEU 39 13.916 -12.703 2.512 280 HG LEU 39 HG LEU 39 14.491 -14.073 0.703 281 HD11 LEU 39 1HD1 LEU 39 11.556 -14.539 1.195 282 HD12 LEU 39 2HD1 LEU 39 12.888 -15.131 2.190 283 HD13 LEU 39 3HD1 LEU 39 12.696 -15.711 0.535 284 HD21 LEU 39 3HD2 LEU 39 12.090 -13.057 -0.813 285 HD22 LEU 39 1HD2 LEU 39 13.273 -14.237 -1.382 286 HD23 LEU 39 2HD2 LEU 39 13.760 -12.566 -1.095 287 H HIS 40 H HIS 40 10.933 -12.136 4.367 288 HA HIS 40 HA HIS 40 11.038 -9.291 4.835 289 HB2 HIS 40 2HB HIS 40 10.029 -11.615 6.472 290 HB3 HIS 40 1HB HIS 40 10.005 -9.958 7.067 291 HD1 HIS 40 HD1 HIS 40 8.653 -11.960 4.120 292 HD2 HIS 40 HD2 HIS 40 7.793 -8.557 6.352 293 HE1 HIS 40 HE1 HIS 40 6.446 -11.130 3.261 294 HE2 HIS 40 HE2 HIS 40 6.002 -9.008 4.541 295 H GLY 41 H GLY 41 13.564 -11.126 4.834 296 HA2 GLY 41 2HA GLY 41 15.677 -10.563 5.595 297 HA3 GLY 41 1HA GLY 41 14.944 -9.391 6.672 298 H GLU 42 H GLU 42 13.824 -12.668 6.842 299 HA GLU 42 HA GLU 42 15.268 -13.015 9.394 300 HB2 GLU 42 2HB GLU 42 12.841 -13.070 9.602 301 HB3 GLU 42 1HB GLU 42 12.732 -14.322 8.373 302 HG2 GLU 42 2HG GLU 42 12.443 -15.236 10.611 303 HG3 GLU 42 1HG GLU 42 13.881 -15.889 9.831 304 H GLY 43 H GLY 43 14.533 -14.611 6.331 305 HA2 GLY 43 2HA GLY 43 16.657 -15.906 5.620 306 HA3 GLY 43 1HA GLY 43 16.319 -16.843 7.064 307 HA PRO 44 HA PRO 44 13.450 -19.447 4.930 308 HB2 PRO 44 2HB PRO 44 11.042 -19.278 6.202 309 HB3 PRO 44 1HB PRO 44 12.444 -20.112 6.883 310 HG2 PRO 44 2HG PRO 44 11.433 -17.344 7.444 311 HG3 PRO 44 1HG PRO 44 12.000 -18.579 8.585 312 HD2 PRO 44 2HD PRO 44 13.572 -16.532 7.810 313 HD3 PRO 44 1HD PRO 44 14.233 -18.145 8.144 314 HA PRO 45 HA PRO 45 11.110 -16.834 2.074 315 HB2 PRO 45 2HB PRO 45 10.854 -18.620 0.090 316 HB3 PRO 45 1HB PRO 45 12.417 -17.872 0.452 317 HG2 PRO 45 2HG PRO 45 11.394 -20.588 1.203 318 HG3 PRO 45 1HG PRO 45 13.003 -20.119 0.622 319 HD2 PRO 45 2HD PRO 45 12.355 -20.533 3.280 320 HD3 PRO 45 1HD PRO 45 13.711 -19.535 2.722 321 HA PRO 46 HA PRO 46 6.901 -18.141 2.924 322 HB2 PRO 46 2HB PRO 46 5.592 -16.845 0.905 323 HB3 PRO 46 1HB PRO 46 6.199 -16.025 2.348 324 HG2 PRO 46 2HG PRO 46 7.423 -16.206 -0.382 325 HG3 PRO 46 1HG PRO 46 7.299 -14.803 0.698 326 HD2 PRO 46 2HD PRO 46 9.579 -16.244 0.453 327 HD3 PRO 46 1HD PRO 46 9.106 -15.468 1.978 328 HA PRO 47 HA PRO 47 6.715 -21.906 0.440 329 HB2 PRO 47 2HB PRO 47 4.016 -22.413 1.101 330 HB3 PRO 47 1HB PRO 47 5.435 -23.022 1.956 331 HG2 PRO 47 2HG PRO 47 3.711 -20.666 2.580 332 HG3 PRO 47 1HG PRO 47 4.507 -21.802 3.686 333 HD2 PRO 47 2HD PRO 47 5.480 -19.343 3.318 334 HD3 PRO 47 1HD PRO 47 6.575 -20.732 3.488 335 H VAL 48 H VAL 48 3.809 -19.829 0.428 336 HA VAL 48 HA VAL 48 3.944 -19.804 -2.519 337 HB VAL 48 HB VAL 48 1.451 -19.323 -2.472 338 HG11 VAL 48 1HG1 VAL 48 2.377 -22.021 -1.462 339 HG12 VAL 48 2HG1 VAL 48 2.324 -21.498 -3.147 340 HG13 VAL 48 3HG1 VAL 48 0.826 -21.695 -2.237 341 HG21 VAL 48 3HG2 VAL 48 0.181 -20.038 -0.502 342 HG22 VAL 48 1HG2 VAL 48 1.262 -18.703 -0.100 343 HG23 VAL 48 2HG2 VAL 48 1.686 -20.351 0.367 344 HA PRO 49 HA PRO 49 4.789 -15.493 -1.295 345 HB2 PRO 49 2HB PRO 49 5.692 -15.258 -4.094 346 HB3 PRO 49 1HB PRO 49 6.588 -14.967 -2.601 347 HG2 PRO 49 2HG PRO 49 7.096 -17.098 -4.163 348 HG3 PRO 49 1HG PRO 49 7.224 -17.183 -2.395 349 HD2 PRO 49 2HD PRO 49 5.000 -18.132 -4.182 350 HD3 PRO 49 1HD PRO 49 5.737 -18.937 -2.777 351 HA PRO 50 HA PRO 50 0.883 -14.037 -3.152 352 HB2 PRO 50 2HB PRO 50 0.883 -11.640 -1.797 353 HB3 PRO 50 1HB PRO 50 0.270 -13.152 -1.120 354 HG2 PRO 50 2HG PRO 50 2.940 -11.846 -0.720 355 HG3 PRO 50 1HG PRO 50 1.883 -12.620 0.477 356 HD2 PRO 50 2HD PRO 50 4.035 -13.887 -0.528 357 HD3 PRO 50 1HD PRO 50 2.534 -14.764 -0.151 358 H ALA 51 H ALA 51 3.927 -12.337 -2.878 359 HA ALA 51 HA ALA 51 4.036 -11.592 -5.606 360 HB1 ALA 51 3HB ALA 51 3.946 -9.152 -5.365 361 HB2 ALA 51 1HB ALA 51 3.533 -9.329 -3.659 362 HB3 ALA 51 2HB ALA 51 2.411 -9.886 -4.899 363 H GLN 52 H GLN 52 6.053 -10.158 -5.984 364 HA GLN 52 HA GLN 52 8.159 -11.008 -4.184 365 HB2 GLN 52 2HB GLN 52 8.178 -9.466 -6.773 366 HB3 GLN 52 1HB GLN 52 9.632 -9.660 -5.802 367 HG2 GLN 52 2HG GLN 52 9.269 -12.142 -5.920 368 HG3 GLN 52 1HG GLN 52 7.993 -11.826 -7.096 369 HE21 GLN 52 1HE2 GLN 52 11.412 -11.673 -6.474 370 HE22 GLN 52 2HE2 GLN 52 11.907 -11.517 -8.118 371 H HIS 53 H HIS 53 6.000 -8.792 -3.699 372 HA HIS 53 HA HIS 53 7.811 -6.835 -2.454 373 HB2 HIS 53 2HB HIS 53 4.856 -6.749 -3.109 374 HB3 HIS 53 1HB HIS 53 5.619 -5.568 -2.051 375 HD1 HIS 53 HD1 HIS 53 5.884 -6.819 -5.627 376 HD2 HIS 53 HD2 HIS 53 6.739 -3.450 -3.358 377 HE1 HIS 53 HE1 HIS 53 6.592 -5.067 -7.271 378 HE2 HIS 53 HE2 HIS 53 6.804 -2.975 -5.897 379 HA PRO 54 HA PRO 54 7.276 -8.495 1.567 380 HB2 PRO 54 2HB PRO 54 6.857 -6.296 3.157 381 HB3 PRO 54 1HB PRO 54 8.428 -6.738 2.478 382 HG2 PRO 54 2HG PRO 54 6.441 -4.722 1.487 383 HG3 PRO 54 1HG PRO 54 8.207 -4.591 1.608 384 HD2 PRO 54 2HD PRO 54 6.983 -5.116 -0.732 385 HD3 PRO 54 1HD PRO 54 8.559 -5.821 -0.319 386 H ASN 55 H ASN 55 4.688 -6.424 0.461 387 HA ASN 55 HA ASN 55 2.508 -6.141 1.023 388 HB2 ASN 55 2HB ASN 55 2.865 -9.108 1.431 389 HB3 ASN 55 1HB ASN 55 1.294 -8.328 1.608 390 HD21 ASN 55 1HD2 ASN 55 0.241 -7.565 -0.197 391 HD22 ASN 55 2HD2 ASN 55 0.752 -7.947 -1.802 392 HA PRO 56 HA PRO 56 3.393 -5.818 5.652 393 HB2 PRO 56 2HB PRO 56 3.216 -3.087 5.706 394 HB3 PRO 56 1HB PRO 56 4.733 -3.961 5.464 395 HG2 PRO 56 2HG PRO 56 2.927 -2.702 3.427 396 HG3 PRO 56 1HG PRO 56 4.698 -2.652 3.540 397 HD2 PRO 56 2HD PRO 56 3.430 -4.311 1.835 398 HD3 PRO 56 1HD PRO 56 4.942 -4.778 2.643 399 H CYS 57 H CYS 57 1.047 -4.908 3.352 400 HA CYS 57 HA CYS 57 -0.936 -3.934 5.249 401 HB2 CYS 57 2HB CYS 57 -1.475 -4.610 2.354 402 HB3 CYS 57 1HB CYS 57 -2.232 -3.374 3.355 403 HA PRO 58 HA PRO 58 -2.993 -7.724 6.273 404 HB2 PRO 58 2HB PRO 58 -5.641 -7.059 5.606 405 HB3 PRO 58 1HB PRO 58 -4.850 -6.764 7.156 406 HG2 PRO 58 2HG PRO 58 -5.252 -4.907 4.849 407 HG3 PRO 58 1HG PRO 58 -5.333 -4.574 6.590 408 HD2 PRO 58 2HD PRO 58 -3.201 -3.835 5.166 409 HD3 PRO 58 1HD PRO 58 -3.005 -4.490 6.807 410 HA PRO 59 HA PRO 59 -3.226 -10.337 2.696 411 HB2 PRO 59 2HB PRO 59 -5.355 -11.981 3.556 412 HB3 PRO 59 1HB PRO 59 -3.635 -12.260 3.840 413 HG2 PRO 59 2HG PRO 59 -5.683 -11.040 5.636 414 HG3 PRO 59 1HG PRO 59 -4.299 -12.073 6.043 415 HD2 PRO 59 2HD PRO 59 -4.233 -9.439 6.506 416 HD3 PRO 59 1HD PRO 59 -2.788 -10.302 5.936 417 H GLY 60 H GLY 60 -4.184 -10.051 0.752 418 HA2 GLY 60 2HA GLY 60 -6.098 -9.830 -0.683 419 HA3 GLY 60 1HA GLY 60 -6.999 -9.161 0.669 420 H TYR 61 H TYR 61 -4.000 -7.785 0.752 421 HA TYR 61 HA TYR 61 -4.602 -5.658 -1.195 422 HB2 TYR 61 2HB TYR 61 -3.833 -5.283 1.707 423 HB3 TYR 61 1HB TYR 61 -3.685 -4.005 0.507 424 HD1 TYR 61 HD1 TYR 61 -5.691 -3.017 -0.516 425 HD2 TYR 61 HD2 TYR 61 -6.008 -5.902 2.605 426 HE1 TYR 61 HE1 TYR 61 -8.029 -2.363 -0.152 427 HE2 TYR 61 HE2 TYR 61 -8.350 -5.246 2.972 428 HH TYR 61 HH TYR 61 -9.782 -3.222 2.578 429 H GLU 62 H GLU 62 -2.749 -4.440 -1.910 430 HA GLU 62 HA GLU 62 -0.122 -5.628 -1.317 431 HB2 GLU 62 2HB GLU 62 0.487 -5.724 -3.650 432 HB3 GLU 62 1HB GLU 62 -1.025 -6.600 -3.446 433 HG2 GLU 62 2HG GLU 62 -2.253 -4.637 -4.284 434 HG3 GLU 62 1HG GLU 62 -0.722 -3.802 -4.530 435 HA PRO 63 HA PRO 63 1.287 -1.369 -1.229 436 HB2 PRO 63 2HB PRO 63 3.868 -2.181 -2.388 437 HB3 PRO 63 1HB PRO 63 3.512 -1.570 -0.771 438 HG2 PRO 63 2HG PRO 63 4.223 -4.139 -1.213 439 HG3 PRO 63 1HG PRO 63 3.100 -3.678 0.080 440 HD2 PRO 63 2HD PRO 63 2.500 -4.822 -2.634 441 HD3 PRO 63 1HD PRO 63 1.785 -5.231 -1.057 442 H ASP 64 H ASP 64 0.805 0.227 -2.645 443 HA ASP 64 HA ASP 64 0.872 -0.308 -5.505 444 HB2 ASP 64 2HB ASP 64 -1.081 0.826 -4.644 445 HB3 ASP 64 1HB ASP 64 -0.087 2.099 -3.944 446 H ASP 65 H ASP 65 2.852 -0.179 -6.412 447 HA ASP 65 HA ASP 65 4.732 1.880 -5.642 448 HB2 ASP 65 2HB ASP 65 4.850 -0.073 -7.957 449 HB3 ASP 65 1HB ASP 65 6.190 0.877 -7.325 450 H GLN 66 H GLN 66 4.163 3.922 -6.257 451 HA GLN 66 HA GLN 66 3.649 4.356 -9.131 452 HB2 GLN 66 2HB GLN 66 2.558 6.518 -8.458 453 HB3 GLN 66 1HB GLN 66 1.701 5.068 -7.962 454 HG2 GLN 66 2HG GLN 66 2.617 5.321 -5.690 455 HG3 GLN 66 1HG GLN 66 3.422 6.805 -6.200 456 HE21 GLN 66 1HE2 GLN 66 0.355 5.294 -5.542 457 HE22 GLN 66 2HE2 GLN 66 -0.556 6.757 -5.428 458 H ASP 67 H ASP 67 5.628 4.747 -9.956 459 HA ASP 67 HA ASP 67 7.693 6.174 -8.640 460 HB2 ASP 67 2HB ASP 67 7.327 5.738 -11.617 461 HB3 ASP 67 1HB ASP 67 8.830 6.166 -10.806 462 H SER 68 H SER 68 4.889 7.230 -10.290 463 HA SER 68 HA SER 68 5.718 9.684 -11.366 464 HB2 SER 68 2HB SER 68 2.980 8.950 -10.291 465 HB3 SER 68 1HB SER 68 3.337 10.279 -11.396 466 HG SER 68 HG SER 68 3.760 8.863 -12.994 467 H CYS 69 H CYS 69 4.954 8.823 -8.042 468 HA CYS 69 HA CYS 69 5.334 11.645 -7.283 469 HB2 CYS 69 2HB CYS 69 2.856 10.876 -7.375 470 HB3 CYS 69 1HB CYS 69 3.237 10.013 -5.885 471 H VAL 70 H VAL 70 6.059 12.023 -5.136 472 HA VAL 70 HA VAL 70 7.127 9.675 -3.705 473 HB VAL 70 HB VAL 70 9.252 10.832 -3.308 474 HG11 VAL 70 1HG1 VAL 70 9.118 9.323 -5.211 475 HG12 VAL 70 2HG1 VAL 70 10.196 10.674 -5.572 476 HG13 VAL 70 3HG1 VAL 70 8.563 10.640 -6.245 477 HG21 VAL 70 3HG2 VAL 70 8.503 13.144 -3.410 478 HG22 VAL 70 1HG2 VAL 70 8.151 12.983 -5.132 479 HG23 VAL 70 2HG2 VAL 70 9.817 12.892 -4.560 480 H ASP 71 H ASP 71 8.075 10.437 -1.496 481 HA ASP 71 HA ASP 71 6.537 12.648 -0.333 482 HB2 ASP 71 2HB ASP 71 5.895 11.232 1.609 483 HB3 ASP 71 1HB ASP 71 5.167 10.706 0.097 Start of MODEL 3 1 H1 SER 1 1H SER 1 1.774 -4.273 -12.453 2 H2 SER 1 2H SER 1 2.082 -3.935 -14.079 3 H3 SER 1 3H SER 1 0.963 -3.001 -13.216 4 HA SER 1 HA SER 1 2.695 -2.126 -11.805 5 HB2 SER 1 2HB SER 1 5.045 -2.680 -12.214 6 HB3 SER 1 1HB SER 1 4.138 -4.160 -11.893 7 HG SER 1 HG SER 1 5.385 -4.552 -13.685 8 H ASP 2 H ASP 2 1.312 -1.745 -14.506 9 HA ASP 2 HA ASP 2 3.077 -0.547 -16.338 10 HB2 ASP 2 2HB ASP 2 0.120 -0.004 -15.984 11 HB3 ASP 2 1HB ASP 2 1.072 0.263 -17.444 12 H VAL 3 H VAL 3 4.056 1.382 -16.357 13 HA VAL 3 HA VAL 3 3.725 3.190 -14.150 14 HB VAL 3 HB VAL 3 5.935 2.714 -15.123 15 HG11 VAL 3 1HG1 VAL 3 5.306 2.529 -17.470 16 HG12 VAL 3 2HG1 VAL 3 6.609 3.698 -17.259 17 HG13 VAL 3 3HG1 VAL 3 4.959 4.258 -17.528 18 HG21 VAL 3 3HG2 VAL 3 5.111 5.619 -15.294 19 HG22 VAL 3 1HG2 VAL 3 6.774 5.039 -15.187 20 HG23 VAL 3 2HG2 VAL 3 5.655 4.764 -13.852 21 H ASN 4 H ASN 4 3.015 5.299 -14.128 22 HA ASN 4 HA ASN 4 1.631 6.313 -16.533 23 HB2 ASN 4 2HB ASN 4 0.950 6.804 -13.617 24 HB3 ASN 4 1HB ASN 4 0.151 7.578 -14.983 25 HD21 ASN 4 1HD2 ASN 4 -1.205 6.351 -16.301 26 HD22 ASN 4 2HD2 ASN 4 -1.830 4.823 -15.792 27 H GLU 5 H GLU 5 1.993 8.446 -17.124 28 HA GLU 5 HA GLU 5 4.465 9.615 -16.278 29 HB2 GLU 5 2HB GLU 5 2.319 10.791 -18.063 30 HB3 GLU 5 1HB GLU 5 3.979 11.357 -17.923 31 HG2 GLU 5 2HG GLU 5 4.778 9.209 -18.808 32 HG3 GLU 5 1HG GLU 5 3.108 8.669 -18.975 33 H CYS 6 H CYS 6 4.279 12.243 -16.097 34 HA CYS 6 HA CYS 6 3.486 12.615 -13.410 35 HB2 CYS 6 2HB CYS 6 4.421 14.560 -15.513 36 HB3 CYS 6 1HB CYS 6 4.065 15.052 -13.859 37 H LEU 7 H LEU 7 1.375 12.484 -15.921 38 HA LEU 7 HA LEU 7 -0.365 14.641 -15.067 39 HB2 LEU 7 2HB LEU 7 -1.842 14.027 -16.786 40 HB3 LEU 7 1HB LEU 7 -0.239 13.796 -17.452 41 HG LEU 7 HG LEU 7 -1.943 11.538 -16.371 42 HD11 LEU 7 1HD1 LEU 7 -3.048 12.587 -18.278 43 HD12 LEU 7 2HD1 LEU 7 -2.439 10.986 -18.691 44 HD13 LEU 7 3HD1 LEU 7 -1.572 12.422 -19.234 45 HD21 LEU 7 3HD2 LEU 7 -0.397 10.122 -17.687 46 HD22 LEU 7 1HD2 LEU 7 0.404 10.987 -16.375 47 HD23 LEU 7 2HD2 LEU 7 0.575 11.552 -18.036 48 H THR 8 H THR 8 0.265 11.471 -14.029 49 HA THR 8 HA THR 8 -2.314 10.652 -13.182 50 HB THR 8 HB THR 8 -0.504 9.023 -13.353 51 HG1 THR 8 HG1 THR 8 -0.957 8.951 -10.599 52 HG21 THR 8 3HG2 THR 8 1.310 8.938 -11.713 53 HG22 THR 8 1HG2 THR 8 0.725 10.431 -10.975 54 HG23 THR 8 2HG2 THR 8 1.360 10.451 -12.619 55 H ILE 9 H ILE 9 -3.429 10.921 -11.296 56 HA ILE 9 HA ILE 9 -2.713 13.165 -9.627 57 HB ILE 9 HB ILE 9 -5.047 11.245 -9.404 58 HG12 ILE 9 2HG1 ILE 9 -5.064 12.482 -11.525 59 HG13 ILE 9 1HG1 ILE 9 -6.357 13.046 -10.472 60 HG21 ILE 9 1HG2 ILE 9 -6.090 12.975 -7.999 61 HG22 ILE 9 2HG2 ILE 9 -4.606 13.925 -8.071 62 HG23 ILE 9 3HG2 ILE 9 -4.606 12.350 -7.277 63 HD11 ILE 9 3HD1 ILE 9 -5.274 14.891 -11.619 64 HD12 ILE 9 1HD1 ILE 9 -3.721 14.433 -10.919 65 HD13 ILE 9 2HD1 ILE 9 -5.025 15.002 -9.878 66 HA PRO 10 HA PRO 10 -0.524 10.692 -6.532 67 HB2 PRO 10 2HB PRO 10 -0.970 13.099 -4.850 68 HB3 PRO 10 1HB PRO 10 0.540 12.279 -5.258 69 HG2 PRO 10 2HG PRO 10 -0.086 14.637 -6.350 70 HG3 PRO 10 1HG PRO 10 0.741 13.382 -7.294 71 HD2 PRO 10 2HD PRO 10 -2.155 14.181 -7.322 72 HD3 PRO 10 1HD PRO 10 -1.089 13.758 -8.680 73 H GLU 11 H GLU 11 -2.127 9.154 -6.083 74 HA GLU 11 HA GLU 11 -4.486 9.852 -4.551 75 HB2 GLU 11 2HB GLU 11 -3.518 7.094 -5.327 76 HB3 GLU 11 1HB GLU 11 -5.150 7.557 -4.865 77 HG2 GLU 11 2HG GLU 11 -5.366 8.881 -6.898 78 HG3 GLU 11 1HG GLU 11 -3.713 8.473 -7.352 79 H ALA 12 H ALA 12 -1.347 9.210 -3.670 80 HA ALA 12 HA ALA 12 -1.924 7.469 -1.407 81 HB1 ALA 12 3HB ALA 12 0.710 8.629 -2.319 82 HB2 ALA 12 1HB ALA 12 0.058 7.063 -2.802 83 HB3 ALA 12 2HB ALA 12 0.481 7.358 -1.116 84 H CYS 13 H CYS 13 -0.803 7.990 0.694 85 HA CYS 13 HA CYS 13 -1.340 10.772 1.483 86 HB2 CYS 13 2HB CYS 13 -0.933 8.256 3.131 87 HB3 CYS 13 1HB CYS 13 -1.148 9.858 3.827 88 H LYS 14 H LYS 14 0.281 12.107 2.291 89 HA LYS 14 HA LYS 14 2.927 11.426 1.418 90 HB2 LYS 14 2HB LYS 14 2.005 13.696 1.175 91 HB3 LYS 14 1HB LYS 14 1.970 13.870 2.927 92 HG2 LYS 14 2HG LYS 14 4.354 13.817 3.058 93 HG3 LYS 14 1HG LYS 14 4.495 13.357 1.361 94 HD2 LYS 14 2HD LYS 14 3.540 15.523 0.699 95 HD3 LYS 14 1HD LYS 14 3.417 15.985 2.398 96 HE2 LYS 14 2HE LYS 14 5.798 15.976 2.647 97 HE3 LYS 14 1HE LYS 14 6.019 15.246 1.057 98 HZ1 LYS 14 3HZ LYS 14 4.903 17.955 1.558 99 HZ2 LYS 14 1HZ LYS 14 5.171 17.249 0.042 100 HZ3 LYS 14 2HZ LYS 14 6.480 17.622 1.044 101 H GLY 15 H GLY 15 4.514 10.509 2.531 102 HA2 GLY 15 2HA GLY 15 5.897 9.979 4.321 103 HA3 GLY 15 1HA GLY 15 4.887 10.965 5.362 104 H GLU 16 H GLU 16 2.902 8.846 3.728 105 HA GLU 16 HA GLU 16 3.186 6.662 5.660 106 HB2 GLU 16 2HB GLU 16 0.646 8.262 5.264 107 HB3 GLU 16 1HB GLU 16 0.698 6.698 6.070 108 HG2 GLU 16 2HG GLU 16 2.255 7.637 7.740 109 HG3 GLU 16 1HG GLU 16 2.123 9.208 6.951 110 H MET 17 H MET 17 1.624 4.793 5.047 111 HA MET 17 HA MET 17 2.396 4.315 2.267 112 HB2 MET 17 2HB MET 17 1.358 2.315 4.279 113 HB3 MET 17 1HB MET 17 2.203 1.971 2.776 114 HG2 MET 17 2HG MET 17 4.214 3.065 3.695 115 HG3 MET 17 1HG MET 17 3.356 3.308 5.215 116 HE1 MET 17 3HE MET 17 1.630 0.439 4.969 117 HE2 MET 17 1HE MET 17 2.179 1.150 6.489 118 HE3 MET 17 2HE MET 17 2.587 -0.520 6.100 119 H LYS 18 H LYS 18 1.074 3.963 0.620 120 HA LYS 18 HA LYS 18 -1.817 4.119 0.974 121 HB2 LYS 18 2HB LYS 18 -0.847 5.513 -0.743 122 HB3 LYS 18 1HB LYS 18 -0.018 4.140 -1.460 123 HG2 LYS 18 2HG LYS 18 -2.241 3.178 -2.053 124 HG3 LYS 18 1HG LYS 18 -2.992 4.663 -1.459 125 HD2 LYS 18 2HD LYS 18 -1.847 5.979 -3.121 126 HD3 LYS 18 1HD LYS 18 -0.878 4.595 -3.620 127 HE2 LYS 18 2HE LYS 18 -3.035 3.473 -4.307 128 HE3 LYS 18 1HE LYS 18 -3.839 5.019 -4.031 129 HZ1 LYS 18 3HZ LYS 18 -2.273 6.006 -5.656 130 HZ2 LYS 18 1HZ LYS 18 -3.278 4.828 -6.341 131 HZ3 LYS 18 2HZ LYS 18 -1.664 4.462 -5.979 132 H CYS 19 H CYS 19 -2.903 2.281 1.316 133 HA CYS 19 HA CYS 19 -1.917 -0.250 0.160 134 HB2 CYS 19 2HB CYS 19 -3.889 0.203 2.413 135 HB3 CYS 19 1HB CYS 19 -3.351 -1.368 1.831 136 H ILE 20 H ILE 20 -2.845 -0.712 -1.727 137 HA ILE 20 HA ILE 20 -5.775 -0.437 -1.970 138 HB ILE 20 HB ILE 20 -5.551 0.168 -4.337 139 HG12 ILE 20 2HG1 ILE 20 -2.578 0.453 -3.784 140 HG13 ILE 20 1HG1 ILE 20 -3.302 -0.872 -4.690 141 HG21 ILE 20 1HG2 ILE 20 -5.826 1.947 -2.704 142 HG22 ILE 20 2HG2 ILE 20 -4.799 2.486 -4.032 143 HG23 ILE 20 3HG2 ILE 20 -4.078 2.047 -2.483 144 HD11 ILE 20 3HD1 ILE 20 -4.102 0.713 -6.368 145 HD12 ILE 20 1HD1 ILE 20 -2.350 0.787 -6.177 146 HD13 ILE 20 2HD1 ILE 20 -3.368 2.036 -5.461 147 H ASN 21 H ASN 21 -6.699 -1.856 -3.672 148 HA ASN 21 HA ASN 21 -5.013 -4.190 -4.294 149 HB2 ASN 21 2HB ASN 21 -6.918 -5.691 -3.793 150 HB3 ASN 21 1HB ASN 21 -6.364 -4.817 -2.370 151 HD21 ASN 21 1HD2 ASN 21 -8.342 -5.145 -1.356 152 HD22 ASN 21 2HD2 ASN 21 -9.759 -4.258 -1.804 153 H HIS 22 H HIS 22 -6.014 -5.600 -6.002 154 HA HIS 22 HA HIS 22 -6.777 -4.080 -8.273 155 HB2 HIS 22 2HB HIS 22 -6.700 -7.049 -7.727 156 HB3 HIS 22 1HB HIS 22 -7.234 -6.400 -9.274 157 HD1 HIS 22 HD1 HIS 22 -4.175 -6.885 -7.176 158 HD2 HIS 22 HD2 HIS 22 -5.205 -5.310 -10.881 159 HE1 HIS 22 HE1 HIS 22 -2.008 -6.538 -8.384 160 HE2 HIS 22 HE2 HIS 22 -2.644 -5.425 -10.546 161 H TYR 23 H TYR 23 -8.627 -5.052 -5.649 162 HA TYR 23 HA TYR 23 -11.123 -5.431 -7.075 163 HB2 TYR 23 2HB TYR 23 -10.562 -5.192 -4.110 164 HB3 TYR 23 1HB TYR 23 -12.120 -5.608 -4.815 165 HD1 TYR 23 HD1 TYR 23 -12.305 -7.755 -6.160 166 HD2 TYR 23 HD2 TYR 23 -8.922 -6.855 -3.739 167 HE1 TYR 23 HE1 TYR 23 -11.680 -10.133 -6.160 168 HE2 TYR 23 HE2 TYR 23 -8.287 -9.230 -3.737 169 HH TYR 23 HH TYR 23 -9.417 -11.443 -4.043 170 H GLY 24 H GLY 24 -9.354 -2.751 -5.828 171 HA2 GLY 24 2HA GLY 24 -10.056 -0.565 -6.668 172 HA3 GLY 24 1HA GLY 24 -11.714 -1.031 -6.341 173 H GLY 25 H GLY 25 -10.091 -2.149 -3.735 174 HA2 GLY 25 2HA GLY 25 -11.063 -0.117 -1.995 175 HA3 GLY 25 1HA GLY 25 -10.049 -1.473 -1.537 176 H TYR 26 H TYR 26 -10.027 1.428 -0.778 177 HA TYR 26 HA TYR 26 -7.156 1.895 -1.268 178 HB2 TYR 26 2HB TYR 26 -8.213 3.503 -2.662 179 HB3 TYR 26 1HB TYR 26 -9.400 3.907 -1.425 180 HD1 TYR 26 HD2 TYR 26 -5.746 4.101 -2.182 181 HD2 TYR 26 HD1 TYR 26 -9.018 5.710 0.027 182 HE1 TYR 26 HE2 TYR 26 -4.322 5.954 -1.423 183 HE2 TYR 26 HE1 TYR 26 -7.600 7.564 0.787 184 HH TYR 26 HH TYR 26 -4.539 8.221 -0.578 185 H LEU 27 H LEU 27 -5.975 2.207 0.519 186 HA LEU 27 HA LEU 27 -7.203 3.293 2.962 187 HB2 LEU 27 2HB LEU 27 -5.544 0.763 2.840 188 HB3 LEU 27 1HB LEU 27 -5.973 1.592 4.322 189 HG LEU 27 HG LEU 27 -7.961 0.341 2.412 190 HD11 LEU 27 1HD1 LEU 27 -6.576 -1.352 3.506 191 HD12 LEU 27 2HD1 LEU 27 -8.230 -1.388 4.116 192 HD13 LEU 27 3HD1 LEU 27 -6.951 -0.651 5.081 193 HD21 LEU 27 3HD2 LEU 27 -8.331 1.503 5.179 194 HD22 LEU 27 1HD2 LEU 27 -9.572 0.698 4.216 195 HD23 LEU 27 2HD2 LEU 27 -8.887 2.226 3.668 196 H CYS 28 H CYS 28 -5.656 4.238 4.450 197 HA CYS 28 HA CYS 28 -2.856 4.379 3.498 198 HB2 CYS 28 2HB CYS 28 -4.572 6.582 4.618 199 HB3 CYS 28 1HB CYS 28 -2.827 6.631 4.842 200 H LEU 29 H LEU 29 -1.481 3.422 4.865 201 HA LEU 29 HA LEU 29 -2.312 3.066 7.678 202 HB2 LEU 29 2HB LEU 29 -0.462 1.394 5.976 203 HB3 LEU 29 1HB LEU 29 -0.755 1.119 7.684 204 HG LEU 29 HG LEU 29 -2.776 0.868 5.448 205 HD11 LEU 29 1HD1 LEU 29 -2.787 -1.493 6.056 206 HD12 LEU 29 2HD1 LEU 29 -1.551 -1.196 7.278 207 HD13 LEU 29 3HD1 LEU 29 -1.177 -0.969 5.568 208 HD21 LEU 29 3HD2 LEU 29 -4.350 0.103 7.151 209 HD22 LEU 29 1HD2 LEU 29 -3.841 1.762 7.468 210 HD23 LEU 29 2HD2 LEU 29 -3.165 0.435 8.415 211 HA PRO 30 HA PRO 30 1.066 5.447 9.240 212 HB2 PRO 30 2HB PRO 30 1.887 3.902 11.373 213 HB3 PRO 30 1HB PRO 30 0.466 4.950 11.393 214 HG2 PRO 30 2HG PRO 30 0.625 1.993 10.911 215 HG3 PRO 30 1HG PRO 30 -0.529 2.905 11.905 216 HD2 PRO 30 2HD PRO 30 -1.188 2.037 9.458 217 HD3 PRO 30 1HD PRO 30 -1.752 3.613 10.054 218 H ARG 31 H ARG 31 3.257 5.655 9.020 219 HA ARG 31 HA ARG 31 4.576 3.815 7.288 220 HB2 ARG 31 2HB ARG 31 4.865 6.315 7.296 221 HB3 ARG 31 1HB ARG 31 5.786 6.150 8.784 222 HG2 ARG 31 2HG ARG 31 7.451 4.796 7.617 223 HG3 ARG 31 1HG ARG 31 6.522 4.930 6.124 224 HD2 ARG 31 2HD ARG 31 6.806 7.403 6.239 225 HD3 ARG 31 1HD ARG 31 7.852 7.176 7.643 226 HE ARG 31 HE ARG 31 9.011 5.607 5.790 227 HH11 ARG 31 1HH1 ARG 31 8.010 8.902 5.769 228 HH12 ARG 31 2HH1 ARG 31 9.173 9.360 4.573 229 HH21 ARG 31 1HH2 ARG 31 10.503 6.207 4.267 230 HH22 ARG 31 2HH2 ARG 31 10.563 7.850 3.729 231 H SER 32 H SER 32 4.104 3.547 10.532 232 HA SER 32 HA SER 32 6.575 2.744 11.595 233 HB2 SER 32 2HB SER 32 4.511 3.172 12.934 234 HB3 SER 32 1HB SER 32 3.841 1.658 12.334 235 HG SER 32 HG SER 32 5.138 0.553 13.617 236 H ALA 33 H ALA 33 4.456 1.115 9.382 237 HA ALA 33 HA ALA 33 5.711 -1.488 9.755 238 HB1 ALA 33 3HB ALA 33 4.216 -2.261 8.010 239 HB2 ALA 33 1HB ALA 33 3.734 -0.601 7.656 240 HB3 ALA 33 2HB ALA 33 3.315 -1.328 9.207 241 H ALA 34 H ALA 34 6.855 -2.599 8.004 242 HA ALA 34 HA ALA 34 8.685 -0.738 6.695 243 HB1 ALA 34 3HB ALA 34 8.839 -3.733 6.990 244 HB2 ALA 34 1HB ALA 34 9.607 -2.542 8.038 245 HB3 ALA 34 2HB ALA 34 10.111 -2.688 6.355 246 H VAL 35 H VAL 35 8.756 -0.322 4.575 247 HA VAL 35 HA VAL 35 7.059 -1.857 2.729 248 HB VAL 35 HB VAL 35 7.455 -0.005 1.132 249 HG11 VAL 35 1HG1 VAL 35 6.151 1.709 2.343 250 HG12 VAL 35 2HG1 VAL 35 6.439 0.833 3.848 251 HG13 VAL 35 3HG1 VAL 35 5.502 0.082 2.555 252 HG21 VAL 35 3HG2 VAL 35 8.986 1.252 3.416 253 HG22 VAL 35 1HG2 VAL 35 8.546 2.062 1.911 254 HG23 VAL 35 2HG2 VAL 35 9.664 0.699 1.886 255 H ILE 36 H ILE 36 10.168 -1.947 3.761 256 HA ILE 36 HA ILE 36 11.555 -2.284 1.263 257 HB ILE 36 HB ILE 36 13.439 -3.112 2.818 258 HG12 ILE 36 2HG1 ILE 36 13.211 -2.357 5.196 259 HG13 ILE 36 1HG1 ILE 36 11.504 -2.056 4.912 260 HG21 ILE 36 1HG2 ILE 36 14.003 -0.827 3.475 261 HG22 ILE 36 2HG2 ILE 36 12.346 -0.320 3.149 262 HG23 ILE 36 3HG2 ILE 36 13.367 -0.889 1.829 263 HD11 ILE 36 3HD1 ILE 36 11.135 -4.424 4.532 264 HD12 ILE 36 1HD1 ILE 36 11.911 -4.152 6.093 265 HD13 ILE 36 2HD1 ILE 36 12.860 -4.739 4.727 266 H ASN 37 H ASN 37 13.224 -4.517 1.853 267 HA ASN 37 HA ASN 37 12.139 -6.591 0.522 268 HB2 ASN 37 2HB ASN 37 14.494 -6.469 1.220 269 HB3 ASN 37 1HB ASN 37 14.029 -6.839 2.877 270 HD21 ASN 37 1HD2 ASN 37 13.306 -8.924 3.371 271 HD22 ASN 37 2HD2 ASN 37 13.646 -10.266 2.341 272 H ASP 38 H ASP 38 10.792 -8.283 0.833 273 HA ASP 38 HA ASP 38 8.779 -8.301 2.702 274 HB2 ASP 38 2HB ASP 38 9.942 -10.702 1.268 275 HB3 ASP 38 1HB ASP 38 8.337 -10.613 1.989 276 H LEU 39 H LEU 39 8.857 -8.494 4.844 277 HA LEU 39 HA LEU 39 11.150 -9.651 6.159 278 HB2 LEU 39 2HB LEU 39 8.647 -8.393 7.289 279 HB3 LEU 39 1HB LEU 39 10.056 -8.852 8.230 280 HG LEU 39 HG LEU 39 10.047 -6.770 6.034 281 HD11 LEU 39 1HD1 LEU 39 10.265 -5.140 7.841 282 HD12 LEU 39 2HD1 LEU 39 10.081 -6.429 9.032 283 HD13 LEU 39 3HD1 LEU 39 8.747 -6.029 7.948 284 HD21 LEU 39 3HD2 LEU 39 12.214 -7.885 6.306 285 HD22 LEU 39 1HD2 LEU 39 12.194 -7.512 8.030 286 HD23 LEU 39 2HD2 LEU 39 12.278 -6.209 6.845 287 H HIS 40 H HIS 40 10.339 -11.825 5.055 288 HA HIS 40 HA HIS 40 9.822 -13.542 7.227 289 HB2 HIS 40 2HB HIS 40 7.667 -14.480 6.706 290 HB3 HIS 40 1HB HIS 40 7.478 -12.741 6.875 291 HD1 HIS 40 HD1 HIS 40 6.961 -15.530 4.551 292 HD2 HIS 40 HD2 HIS 40 7.040 -11.380 4.353 293 HE1 HIS 40 HE1 HIS 40 5.850 -14.940 2.379 294 HE2 HIS 40 HE2 HIS 40 5.747 -12.425 2.369 295 H GLY 41 H GLY 41 11.137 -15.170 6.767 296 HA2 GLY 41 2HA GLY 41 11.090 -16.316 4.031 297 HA3 GLY 41 1HA GLY 41 12.593 -16.089 4.914 298 H GLU 42 H GLU 42 9.461 -17.740 5.076 299 HA GLU 42 HA GLU 42 10.226 -19.527 7.166 300 HB2 GLU 42 2HB GLU 42 7.914 -19.579 5.216 301 HB3 GLU 42 1HB GLU 42 8.124 -20.769 6.493 302 HG2 GLU 42 2HG GLU 42 6.527 -19.056 7.139 303 HG3 GLU 42 1HG GLU 42 7.947 -19.023 8.181 304 H GLY 43 H GLY 43 11.698 -21.093 6.945 305 HA2 GLY 43 2HA GLY 43 12.445 -23.175 6.246 306 HA3 GLY 43 1HA GLY 43 11.325 -23.104 4.901 307 HA PRO 44 HA PRO 44 15.413 -22.620 2.927 308 HB2 PRO 44 2HB PRO 44 14.872 -23.974 0.688 309 HB3 PRO 44 1HB PRO 44 15.077 -24.819 2.229 310 HG2 PRO 44 2HG PRO 44 12.540 -24.049 0.817 311 HG3 PRO 44 1HG PRO 44 12.965 -25.589 1.589 312 HD2 PRO 44 2HD PRO 44 11.449 -23.635 2.793 313 HD3 PRO 44 1HD PRO 44 12.416 -24.826 3.687 314 HA PRO 45 HA PRO 45 14.655 -19.217 0.098 315 HB2 PRO 45 2HB PRO 45 16.680 -19.517 -1.701 316 HB3 PRO 45 1HB PRO 45 16.934 -18.917 -0.058 317 HG2 PRO 45 2HG PRO 45 17.341 -21.682 -1.145 318 HG3 PRO 45 1HG PRO 45 18.392 -20.738 -0.071 319 HD2 PRO 45 2HD PRO 45 16.744 -22.670 0.859 320 HD3 PRO 45 1HD PRO 45 17.109 -21.211 1.802 321 HA PRO 46 HA PRO 46 12.078 -21.416 -2.926 322 HB2 PRO 46 2HB PRO 46 11.223 -18.663 -3.620 323 HB3 PRO 46 1HB PRO 46 10.253 -20.043 -3.099 324 HG2 PRO 46 2HG PRO 46 10.704 -17.972 -1.464 325 HG3 PRO 46 1HG PRO 46 10.645 -19.635 -0.847 326 HD2 PRO 46 2HD PRO 46 13.034 -17.915 -1.441 327 HD3 PRO 46 1HD PRO 46 12.736 -18.987 -0.055 328 HA PRO 47 HA PRO 47 14.658 -21.007 -6.590 329 HB2 PRO 47 2HB PRO 47 12.839 -22.172 -8.345 330 HB3 PRO 47 1HB PRO 47 13.988 -23.061 -7.340 331 HG2 PRO 47 2HG PRO 47 11.088 -22.484 -6.851 332 HG3 PRO 47 1HG PRO 47 11.998 -23.978 -6.557 333 HD2 PRO 47 2HD PRO 47 11.379 -22.323 -4.548 334 HD3 PRO 47 1HD PRO 47 12.950 -23.156 -4.590 335 H VAL 48 H VAL 48 11.171 -20.296 -6.948 336 HA VAL 48 HA VAL 48 11.906 -17.679 -8.060 337 HB VAL 48 HB VAL 48 11.274 -18.963 -9.999 338 HG11 VAL 48 1HG1 VAL 48 10.015 -20.752 -8.914 339 HG12 VAL 48 2HG1 VAL 48 9.094 -20.048 -10.242 340 HG13 VAL 48 3HG1 VAL 48 8.692 -19.632 -8.576 341 HG21 VAL 48 3HG2 VAL 48 9.386 -17.632 -10.837 342 HG22 VAL 48 1HG2 VAL 48 10.539 -16.636 -9.947 343 HG23 VAL 48 2HG2 VAL 48 9.019 -17.115 -9.191 344 HA PRO 49 HA PRO 49 9.036 -17.045 -4.613 345 HB2 PRO 49 2HB PRO 49 10.234 -14.926 -3.533 346 HB3 PRO 49 1HB PRO 49 10.979 -16.527 -3.445 347 HG2 PRO 49 2HG PRO 49 11.622 -14.235 -5.262 348 HG3 PRO 49 1HG PRO 49 12.723 -15.359 -4.446 349 HD2 PRO 49 2HD PRO 49 11.872 -15.559 -7.103 350 HD3 PRO 49 1HD PRO 49 12.592 -16.874 -6.152 351 HA PRO 50 HA PRO 50 6.574 -13.566 -6.174 352 HB2 PRO 50 2HB PRO 50 4.739 -13.454 -4.223 353 HB3 PRO 50 1HB PRO 50 4.772 -14.797 -5.372 354 HG2 PRO 50 2HG PRO 50 5.805 -14.689 -2.560 355 HG3 PRO 50 1HG PRO 50 4.899 -15.980 -3.369 356 HD2 PRO 50 2HD PRO 50 7.635 -15.983 -3.038 357 HD3 PRO 50 1HD PRO 50 6.786 -16.865 -4.325 358 H ALA 51 H ALA 51 8.678 -13.602 -3.620 359 HA ALA 51 HA ALA 51 8.082 -11.306 -2.122 360 HB1 ALA 51 3HB ALA 51 10.396 -11.403 -1.366 361 HB2 ALA 51 1HB ALA 51 10.796 -12.508 -2.681 362 HB3 ALA 51 2HB ALA 51 9.691 -13.019 -1.406 363 H GLN 52 H GLN 52 8.353 -9.199 -2.459 364 HA GLN 52 HA GLN 52 10.169 -7.828 -4.007 365 HB2 GLN 52 2HB GLN 52 8.961 -7.276 -6.075 366 HB3 GLN 52 1HB GLN 52 9.300 -8.997 -5.975 367 HG2 GLN 52 2HG GLN 52 6.957 -9.352 -5.199 368 HG3 GLN 52 1HG GLN 52 6.651 -7.639 -5.486 369 HE21 GLN 52 1HE2 GLN 52 5.111 -8.039 -7.082 370 HE22 GLN 52 2HE2 GLN 52 5.527 -8.657 -8.639 371 H HIS 53 H HIS 53 7.037 -8.101 -2.622 372 HA HIS 53 HA HIS 53 7.256 -5.390 -1.619 373 HB2 HIS 53 2HB HIS 53 4.951 -6.310 -3.321 374 HB3 HIS 53 1HB HIS 53 4.691 -5.116 -2.055 375 HD1 HIS 53 HD1 HIS 53 6.276 -5.549 -5.420 376 HD2 HIS 53 HD2 HIS 53 5.816 -2.584 -2.545 377 HE1 HIS 53 HE1 HIS 53 6.978 -3.416 -6.528 378 HE2 HIS 53 HE2 HIS 53 6.511 -1.621 -4.838 379 HA PRO 54 HA PRO 54 6.824 -7.809 2.008 380 HB2 PRO 54 2HB PRO 54 5.933 -5.747 3.687 381 HB3 PRO 54 1HB PRO 54 7.613 -6.149 3.324 382 HG2 PRO 54 2HG PRO 54 5.847 -4.079 2.078 383 HG3 PRO 54 1HG PRO 54 7.563 -3.974 2.524 384 HD2 PRO 54 2HD PRO 54 6.864 -4.312 -0.017 385 HD3 PRO 54 1HD PRO 54 8.245 -5.212 0.651 386 H ASN 55 H ASN 55 4.033 -6.092 0.797 387 HA ASN 55 HA ASN 55 1.812 -6.049 1.333 388 HB2 ASN 55 2HB ASN 55 2.404 -8.924 2.092 389 HB3 ASN 55 1HB ASN 55 0.787 -8.256 1.905 390 HD21 ASN 55 1HD2 ASN 55 1.381 -6.631 -0.366 391 HD22 ASN 55 2HD2 ASN 55 1.643 -7.687 -1.703 392 HA PRO 56 HA PRO 56 2.690 -5.547 5.948 393 HB2 PRO 56 2HB PRO 56 2.640 -2.843 6.044 394 HB3 PRO 56 1HB PRO 56 4.109 -3.744 5.649 395 HG2 PRO 56 2HG PRO 56 2.169 -2.387 3.804 396 HG3 PRO 56 1HG PRO 56 3.943 -2.363 3.774 397 HD2 PRO 56 2HD PRO 56 2.462 -3.977 2.157 398 HD3 PRO 56 1HD PRO 56 4.078 -4.422 2.740 399 H CYS 57 H CYS 57 0.351 -4.543 3.653 400 HA CYS 57 HA CYS 57 -1.516 -3.418 5.575 401 HB2 CYS 57 2HB CYS 57 -2.066 -4.026 2.665 402 HB3 CYS 57 1HB CYS 57 -2.836 -2.815 3.687 403 HA PRO 58 HA PRO 58 -3.924 -6.994 6.656 404 HB2 PRO 58 2HB PRO 58 -6.256 -5.469 5.530 405 HB3 PRO 58 1HB PRO 58 -6.118 -6.328 7.071 406 HG2 PRO 58 2HG PRO 58 -5.920 -3.683 7.006 407 HG3 PRO 58 1HG PRO 58 -4.840 -4.631 8.048 408 HD2 PRO 58 2HD PRO 58 -4.261 -3.270 5.453 409 HD3 PRO 58 1HD PRO 58 -3.208 -3.507 6.862 410 HA PRO 59 HA PRO 59 -4.089 -9.665 3.099 411 HB2 PRO 59 2HB PRO 59 -6.527 -10.722 4.503 412 HB3 PRO 59 1HB PRO 59 -5.180 -11.609 3.775 413 HG2 PRO 59 2HG PRO 59 -5.291 -11.277 6.407 414 HG3 PRO 59 1HG PRO 59 -3.742 -11.139 5.552 415 HD2 PRO 59 2HD PRO 59 -5.468 -9.001 6.715 416 HD3 PRO 59 1HD PRO 59 -3.701 -9.062 6.551 417 H GLY 60 H GLY 60 -4.908 -9.341 1.113 418 HA2 GLY 60 2HA GLY 60 -6.664 -9.009 -0.469 419 HA3 GLY 60 1HA GLY 60 -7.661 -8.334 0.810 420 H TYR 61 H TYR 61 -4.679 -6.995 1.227 421 HA TYR 61 HA TYR 61 -5.048 -4.858 -0.772 422 HB2 TYR 61 2HB TYR 61 -4.612 -4.497 2.197 423 HB3 TYR 61 1HB TYR 61 -4.308 -3.215 1.029 424 HD1 TYR 61 HD1 TYR 61 -6.196 -2.252 -0.270 425 HD2 TYR 61 HD2 TYR 61 -6.852 -5.060 2.865 426 HE1 TYR 61 HE1 TYR 61 -8.560 -1.597 -0.179 427 HE2 TYR 61 HE2 TYR 61 -9.222 -4.410 2.957 428 HH TYR 61 HH TYR 61 -10.605 -2.392 2.352 429 H GLU 62 H GLU 62 -3.231 -4.144 -1.739 430 HA GLU 62 HA GLU 62 -0.640 -5.191 -0.776 431 HB2 GLU 62 2HB GLU 62 0.082 -5.177 -3.149 432 HB3 GLU 62 1HB GLU 62 -1.290 -6.239 -2.865 433 HG2 GLU 62 2HG GLU 62 -2.773 -4.381 -3.690 434 HG3 GLU 62 1HG GLU 62 -1.309 -3.529 -4.176 435 HA PRO 63 HA PRO 63 0.755 -1.005 -0.457 436 HB2 PRO 63 2HB PRO 63 3.428 -1.287 -0.663 437 HB3 PRO 63 1HB PRO 63 2.525 -1.916 0.720 438 HG2 PRO 63 2HG PRO 63 3.548 -3.369 -1.694 439 HG3 PRO 63 1HG PRO 63 3.581 -3.866 0.008 440 HD2 PRO 63 2HD PRO 63 1.718 -4.754 -1.802 441 HD3 PRO 63 1HD PRO 63 1.423 -4.651 -0.054 442 H ASP 64 H ASP 64 0.596 0.607 -1.872 443 HA ASP 64 HA ASP 64 1.382 0.243 -4.670 444 HB2 ASP 64 2HB ASP 64 -0.855 1.170 -4.082 445 HB3 ASP 64 1HB ASP 64 -0.066 2.542 -3.315 446 H ASP 65 H ASP 65 3.130 1.257 -5.604 447 HA ASP 65 HA ASP 65 4.995 2.580 -3.830 448 HB2 ASP 65 2HB ASP 65 5.216 1.993 -6.792 449 HB3 ASP 65 1HB ASP 65 6.524 2.547 -5.750 450 H GLN 66 H GLN 66 4.812 4.657 -3.390 451 HA GLN 66 HA GLN 66 3.446 6.444 -5.253 452 HB2 GLN 66 2HB GLN 66 3.436 8.039 -3.313 453 HB3 GLN 66 1HB GLN 66 2.580 6.529 -3.024 454 HG2 GLN 66 2HG GLN 66 4.512 5.678 -1.776 455 HG3 GLN 66 1HG GLN 66 5.359 7.194 -2.060 456 HE21 GLN 66 1HE2 GLN 66 2.964 8.827 -1.654 457 HE22 GLN 66 2HE2 GLN 66 2.655 8.798 0.045 458 H ASP 67 H ASP 67 4.948 6.990 -6.812 459 HA ASP 67 HA ASP 67 7.375 8.380 -6.010 460 HB2 ASP 67 2HB ASP 67 6.090 7.935 -8.718 461 HB3 ASP 67 1HB ASP 67 7.587 8.832 -8.483 462 H SER 68 H SER 68 4.580 9.293 -8.018 463 HA SER 68 HA SER 68 3.357 11.186 -8.242 464 HB2 SER 68 2HB SER 68 4.174 11.606 -5.354 465 HB3 SER 68 1HB SER 68 2.910 12.512 -6.182 466 HG SER 68 HG SER 68 2.209 10.650 -4.896 467 H CYS 69 H CYS 69 4.302 12.477 -9.734 468 HA CYS 69 HA CYS 69 6.728 13.857 -9.467 469 HB2 CYS 69 2HB CYS 69 4.346 14.580 -11.199 470 HB3 CYS 69 1HB CYS 69 5.986 15.202 -11.401 471 H VAL 70 H VAL 70 7.151 15.221 -7.884 472 HA VAL 70 HA VAL 70 7.090 16.948 -6.432 473 HB VAL 70 HB VAL 70 4.563 17.900 -7.801 474 HG11 VAL 70 1HG1 VAL 70 5.125 20.073 -6.758 475 HG12 VAL 70 2HG1 VAL 70 6.448 19.295 -5.890 476 HG13 VAL 70 3HG1 VAL 70 4.780 18.821 -5.565 477 HG21 VAL 70 3HG2 VAL 70 6.445 17.814 -9.366 478 HG22 VAL 70 1HG2 VAL 70 7.440 18.736 -8.237 479 HG23 VAL 70 2HG2 VAL 70 6.028 19.484 -8.982 480 H ASP 71 H ASP 71 6.815 15.591 -4.724 481 HA ASP 71 HA ASP 71 4.231 15.741 -3.361 482 HB2 ASP 71 2HB ASP 71 4.156 13.595 -4.533 483 HB3 ASP 71 1HB ASP 71 5.717 13.142 -3.866 Start of MODEL 4 1 H1 SER 1 1H SER 1 -5.738 5.610 -15.318 2 H2 SER 1 2H SER 1 -6.391 5.943 -13.795 3 H3 SER 1 3H SER 1 -6.197 4.342 -14.299 4 HA SER 1 HA SER 1 -3.985 6.264 -13.839 5 HB2 SER 1 2HB SER 1 -4.842 3.895 -12.141 6 HB3 SER 1 1HB SER 1 -3.490 4.982 -11.813 7 HG SER 1 HG SER 1 -4.980 5.976 -10.676 8 H ASP 2 H ASP 2 -2.596 5.762 -15.460 9 HA ASP 2 HA ASP 2 -2.171 2.908 -16.092 10 HB2 ASP 2 2HB ASP 2 -1.811 5.266 -17.959 11 HB3 ASP 2 1HB ASP 2 -1.763 3.554 -18.382 12 H VAL 3 H VAL 3 -0.287 5.771 -17.056 13 HA VAL 3 HA VAL 3 2.064 4.570 -15.738 14 HB VAL 3 HB VAL 3 2.318 4.247 -18.104 15 HG11 VAL 3 1HG1 VAL 3 0.752 5.939 -18.913 16 HG12 VAL 3 2HG1 VAL 3 2.313 6.085 -19.721 17 HG13 VAL 3 3HG1 VAL 3 1.873 7.217 -18.442 18 HG21 VAL 3 3HG2 VAL 3 4.412 5.443 -18.524 19 HG22 VAL 3 1HG2 VAL 3 4.338 4.866 -16.859 20 HG23 VAL 3 2HG2 VAL 3 4.043 6.568 -17.216 21 H ASN 4 H ASN 4 2.651 5.775 -14.079 22 HA ASN 4 HA ASN 4 2.334 8.689 -14.176 23 HB2 ASN 4 2HB ASN 4 3.062 8.390 -11.671 24 HB3 ASN 4 1HB ASN 4 1.423 7.995 -12.173 25 HD21 ASN 4 1HD2 ASN 4 4.525 6.673 -11.262 26 HD22 ASN 4 2HD2 ASN 4 3.942 5.085 -10.917 27 H GLU 5 H GLU 5 3.988 9.719 -15.023 28 HA GLU 5 HA GLU 5 6.760 8.865 -14.565 29 HB2 GLU 5 2HB GLU 5 5.526 10.920 -16.417 30 HB3 GLU 5 1HB GLU 5 7.250 10.589 -16.320 31 HG2 GLU 5 2HG GLU 5 6.910 8.322 -17.099 32 HG3 GLU 5 1HG GLU 5 5.162 8.542 -17.065 33 H CYS 6 H CYS 6 6.522 9.616 -12.228 34 HA CYS 6 HA CYS 6 6.951 11.089 -10.543 35 HB2 CYS 6 2HB CYS 6 7.739 13.046 -12.715 36 HB3 CYS 6 1HB CYS 6 8.061 13.236 -10.996 37 H LEU 7 H LEU 7 5.079 12.448 -13.221 38 HA LEU 7 HA LEU 7 3.748 14.421 -11.635 39 HB2 LEU 7 2HB LEU 7 2.698 15.075 -13.609 40 HB3 LEU 7 1HB LEU 7 4.227 14.437 -14.164 41 HG LEU 7 HG LEU 7 1.583 12.966 -14.298 42 HD11 LEU 7 1HD1 LEU 7 3.162 14.374 -16.453 43 HD12 LEU 7 2HD1 LEU 7 1.592 14.856 -15.810 44 HD13 LEU 7 3HD1 LEU 7 1.745 13.356 -16.723 45 HD21 LEU 7 3HD2 LEU 7 2.778 11.382 -15.723 46 HD22 LEU 7 1HD2 LEU 7 3.479 11.445 -14.106 47 HD23 LEU 7 2HD2 LEU 7 4.285 12.260 -15.449 48 H THR 8 H THR 8 3.521 11.880 -10.448 49 HA THR 8 HA THR 8 1.268 10.352 -11.065 50 HB THR 8 HB THR 8 2.983 9.448 -9.636 51 HG1 THR 8 HG1 THR 8 0.520 9.766 -8.217 52 HG21 THR 8 3HG2 THR 8 3.308 10.225 -7.315 53 HG22 THR 8 1HG2 THR 8 2.190 11.554 -7.617 54 HG23 THR 8 2HG2 THR 8 3.719 11.472 -8.494 55 H ILE 9 H ILE 9 -0.817 10.288 -10.337 56 HA ILE 9 HA ILE 9 -2.034 12.704 -9.401 57 HB ILE 9 HB ILE 9 -3.199 9.922 -9.711 58 HG12 ILE 9 2HG1 ILE 9 -2.357 10.763 -11.834 59 HG13 ILE 9 1HG1 ILE 9 -4.117 10.797 -11.848 60 HG21 ILE 9 1HG2 ILE 9 -5.392 11.024 -9.762 61 HG22 ILE 9 2HG2 ILE 9 -4.618 12.570 -9.409 62 HG23 ILE 9 3HG2 ILE 9 -4.573 11.268 -8.219 63 HD11 ILE 9 3HD1 ILE 9 -4.068 13.201 -11.401 64 HD12 ILE 9 1HD1 ILE 9 -3.191 12.787 -12.873 65 HD13 ILE 9 2HD1 ILE 9 -2.304 13.161 -11.396 66 HA PRO 10 HA PRO 10 -1.662 11.922 -4.981 67 HB2 PRO 10 2HB PRO 10 -4.111 13.570 -4.704 68 HB3 PRO 10 1HB PRO 10 -2.499 13.823 -4.025 69 HG2 PRO 10 2HG PRO 10 -3.401 15.346 -6.027 70 HG3 PRO 10 1HG PRO 10 -1.702 14.841 -5.950 71 HD2 PRO 10 2HD PRO 10 -3.933 13.724 -7.625 72 HD3 PRO 10 1HD PRO 10 -2.251 14.081 -8.081 73 H GLU 11 H GLU 11 -2.562 9.683 -5.889 74 HA GLU 11 HA GLU 11 -5.220 9.055 -4.835 75 HB2 GLU 11 2HB GLU 11 -3.174 7.379 -6.312 76 HB3 GLU 11 1HB GLU 11 -4.735 6.780 -5.767 77 HG2 GLU 11 2HG GLU 11 -5.876 8.335 -7.240 78 HG3 GLU 11 1HG GLU 11 -4.327 9.014 -7.751 79 H ALA 12 H ALA 12 -2.370 9.496 -3.416 80 HA ALA 12 HA ALA 12 -2.657 7.236 -1.545 81 HB1 ALA 12 3HB ALA 12 -0.046 8.271 -2.656 82 HB2 ALA 12 1HB ALA 12 -0.809 6.733 -3.057 83 HB3 ALA 12 2HB ALA 12 -0.220 7.023 -1.421 84 H CYS 13 H CYS 13 -1.237 7.643 0.470 85 HA CYS 13 HA CYS 13 -1.844 10.349 1.440 86 HB2 CYS 13 2HB CYS 13 -1.224 7.763 2.884 87 HB3 CYS 13 1HB CYS 13 -1.393 9.309 3.704 88 H LYS 14 H LYS 14 -0.278 11.740 2.187 89 HA LYS 14 HA LYS 14 2.421 11.253 1.325 90 HB2 LYS 14 2HB LYS 14 1.423 13.483 1.143 91 HB3 LYS 14 1HB LYS 14 1.257 13.564 2.893 92 HG2 LYS 14 2HG LYS 14 3.720 13.420 3.102 93 HG3 LYS 14 1HG LYS 14 3.841 13.445 1.342 94 HD2 LYS 14 2HD LYS 14 2.797 15.655 1.292 95 HD3 LYS 14 1HD LYS 14 2.624 15.623 3.050 96 HE2 LYS 14 2HE LYS 14 5.078 15.479 3.262 97 HE3 LYS 14 1HE LYS 14 5.220 15.573 1.506 98 HZ1 LYS 14 3HZ LYS 14 4.077 17.660 3.277 99 HZ2 LYS 14 1HZ LYS 14 4.164 17.752 1.594 100 HZ3 LYS 14 2HZ LYS 14 5.582 17.719 2.512 101 H GLY 15 H GLY 15 4.079 10.472 2.455 102 HA2 GLY 15 2HA GLY 15 5.452 9.992 4.261 103 HA3 GLY 15 1HA GLY 15 4.308 10.801 5.320 104 H GLU 16 H GLU 16 2.569 8.653 3.509 105 HA GLU 16 HA GLU 16 3.002 6.379 5.319 106 HB2 GLU 16 2HB GLU 16 0.327 7.698 4.792 107 HB3 GLU 16 1HB GLU 16 0.520 6.129 5.564 108 HG2 GLU 16 2HG GLU 16 1.852 7.215 7.351 109 HG3 GLU 16 1HG GLU 16 1.525 8.776 6.603 110 H MET 17 H MET 17 1.853 4.378 4.526 111 HA MET 17 HA MET 17 2.415 4.175 1.667 112 HB2 MET 17 2HB MET 17 1.775 1.983 3.651 113 HB3 MET 17 1HB MET 17 2.381 1.763 2.015 114 HG2 MET 17 2HG MET 17 4.452 2.961 2.671 115 HG3 MET 17 1HG MET 17 3.844 3.020 4.328 116 HE1 MET 17 3HE MET 17 3.009 0.729 5.560 117 HE2 MET 17 1HE MET 17 3.467 -0.882 5.007 118 HE3 MET 17 2HE MET 17 2.282 0.055 4.099 119 H LYS 18 H LYS 18 1.016 3.386 0.131 120 HA LYS 18 HA LYS 18 -1.837 3.660 0.741 121 HB2 LYS 18 2HB LYS 18 -1.018 5.040 -1.060 122 HB3 LYS 18 1HB LYS 18 -0.290 3.651 -1.856 123 HG2 LYS 18 2HG LYS 18 -2.602 2.715 -2.147 124 HG3 LYS 18 1HG LYS 18 -3.226 4.256 -1.551 125 HD2 LYS 18 2HD LYS 18 -2.137 5.434 -3.392 126 HD3 LYS 18 1HD LYS 18 -1.421 3.925 -3.959 127 HE2 LYS 18 2HE LYS 18 -3.761 3.044 -4.248 128 HE3 LYS 18 1HE LYS 18 -4.341 4.676 -3.920 129 HZ1 LYS 18 3HZ LYS 18 -2.495 3.933 -6.127 130 HZ2 LYS 18 1HZ LYS 18 -3.139 5.470 -5.838 131 HZ3 LYS 18 2HZ LYS 18 -4.158 4.205 -6.300 132 H CYS 19 H CYS 19 -2.858 1.833 1.244 133 HA CYS 19 HA CYS 19 -2.116 -0.697 -0.089 134 HB2 CYS 19 2HB CYS 19 -3.805 -0.287 2.398 135 HB3 CYS 19 1HB CYS 19 -3.296 -1.834 1.732 136 H ILE 20 H ILE 20 -3.352 -1.112 -1.844 137 HA ILE 20 HA ILE 20 -6.262 -0.657 -1.632 138 HB ILE 20 HB ILE 20 -6.338 -0.023 -4.027 139 HG12 ILE 20 2HG1 ILE 20 -3.328 0.275 -3.817 140 HG13 ILE 20 1HG1 ILE 20 -4.121 -1.080 -4.612 141 HG21 ILE 20 1HG2 ILE 20 -4.655 1.783 -2.289 142 HG22 ILE 20 2HG2 ILE 20 -6.417 1.709 -2.330 143 HG23 ILE 20 3HG2 ILE 20 -5.527 2.279 -3.742 144 HD11 ILE 20 3HD1 ILE 20 -5.125 0.447 -6.228 145 HD12 ILE 20 1HD1 ILE 20 -3.369 0.584 -6.213 146 HD13 ILE 20 2HD1 ILE 20 -4.354 1.814 -5.423 147 H ASN 21 H ASN 21 -7.548 -1.944 -3.110 148 HA ASN 21 HA ASN 21 -6.172 -4.361 -4.103 149 HB2 ASN 21 2HB ASN 21 -8.287 -5.595 -3.702 150 HB3 ASN 21 1HB ASN 21 -7.593 -4.948 -2.222 151 HD21 ASN 21 1HD2 ASN 21 -9.569 -5.009 -1.163 152 HD22 ASN 21 2HD2 ASN 21 -10.844 -3.902 -1.520 153 H HIS 22 H HIS 22 -7.566 -5.466 -5.900 154 HA HIS 22 HA HIS 22 -7.803 -3.573 -8.017 155 HB2 HIS 22 2HB HIS 22 -8.268 -6.526 -7.805 156 HB3 HIS 22 1HB HIS 22 -8.799 -5.665 -9.246 157 HD1 HIS 22 HD1 HIS 22 -5.580 -6.262 -7.270 158 HD2 HIS 22 HD2 HIS 22 -6.852 -5.280 -11.108 159 HE1 HIS 22 HE1 HIS 22 -3.516 -6.269 -8.686 160 HE2 HIS 22 HE2 HIS 22 -4.286 -5.574 -10.977 161 H TYR 23 H TYR 23 -10.031 -4.502 -5.636 162 HA TYR 23 HA TYR 23 -12.437 -3.986 -7.134 163 HB2 TYR 23 2HB TYR 23 -12.604 -5.417 -5.211 164 HB3 TYR 23 1HB TYR 23 -11.876 -4.203 -4.166 165 HD1 TYR 23 HD1 TYR 23 -14.909 -4.946 -6.193 166 HD2 TYR 23 HD2 TYR 23 -13.233 -2.620 -3.042 167 HE1 TYR 23 HE1 TYR 23 -17.151 -4.108 -5.624 168 HE2 TYR 23 HE2 TYR 23 -15.468 -1.777 -2.469 169 HH TYR 23 HH TYR 23 -17.652 -1.457 -3.557 170 H GLY 24 H GLY 24 -10.201 -2.039 -5.262 171 HA2 GLY 24 2HA GLY 24 -10.114 0.358 -5.806 172 HA3 GLY 24 1HA GLY 24 -11.869 0.353 -5.812 173 H GLY 25 H GLY 25 -10.654 -1.539 -3.285 174 HA2 GLY 25 2HA GLY 25 -11.484 0.292 -1.250 175 HA3 GLY 25 1HA GLY 25 -10.683 -1.250 -0.995 176 H TYR 26 H TYR 26 -10.358 1.938 -0.410 177 HA TYR 26 HA TYR 26 -7.436 2.007 -0.839 178 HB2 TYR 26 2HB TYR 26 -8.542 3.744 -2.074 179 HB3 TYR 26 1HB TYR 26 -9.480 4.228 -0.668 180 HD1 TYR 26 HD2 TYR 26 -5.976 4.042 -1.934 181 HD2 TYR 26 HD1 TYR 26 -8.708 5.955 0.713 182 HE1 TYR 26 HE2 TYR 26 -4.270 5.718 -1.387 183 HE2 TYR 26 HE1 TYR 26 -7.005 7.642 1.260 184 HH TYR 26 HH TYR 26 -4.491 7.806 1.219 185 H LEU 27 H LEU 27 -6.186 1.843 0.893 186 HA LEU 27 HA LEU 27 -7.061 3.009 3.460 187 HB2 LEU 27 2HB LEU 27 -5.668 0.347 3.081 188 HB3 LEU 27 1HB LEU 27 -5.963 1.109 4.632 189 HG LEU 27 HG LEU 27 -8.124 0.170 2.731 190 HD11 LEU 27 1HD1 LEU 27 -7.132 -1.089 5.292 191 HD12 LEU 27 2HD1 LEU 27 -6.871 -1.712 3.662 192 HD13 LEU 27 3HD1 LEU 27 -8.502 -1.636 4.324 193 HD21 LEU 27 3HD2 LEU 27 -8.274 1.251 5.550 194 HD22 LEU 27 1HD2 LEU 27 -9.620 0.531 4.664 195 HD23 LEU 27 2HD2 LEU 27 -8.884 2.025 4.086 196 H CYS 28 H CYS 28 -5.334 3.770 4.818 197 HA CYS 28 HA CYS 28 -2.668 3.882 3.534 198 HB2 CYS 28 2HB CYS 28 -4.088 6.101 5.023 199 HB3 CYS 28 1HB CYS 28 -2.371 6.137 4.627 200 H LEU 29 H LEU 29 -1.071 3.050 4.706 201 HA LEU 29 HA LEU 29 -1.472 2.694 7.613 202 HB2 LEU 29 2HB LEU 29 0.280 1.141 5.694 203 HB3 LEU 29 1HB LEU 29 0.215 0.875 7.428 204 HG LEU 29 HG LEU 29 -2.047 0.432 5.469 205 HD11 LEU 29 1HD1 LEU 29 -1.787 -1.927 6.079 206 HD12 LEU 29 2HD1 LEU 29 -0.400 -1.514 7.087 207 HD13 LEU 29 3HD1 LEU 29 -0.322 -1.280 5.341 208 HD21 LEU 29 3HD2 LEU 29 -3.285 -0.464 7.381 209 HD22 LEU 29 1HD2 LEU 29 -2.906 1.243 7.604 210 HD23 LEU 29 2HD2 LEU 29 -1.975 0.012 8.460 211 HA PRO 30 HA PRO 30 1.821 5.528 8.501 212 HB2 PRO 30 2HB PRO 30 2.961 4.307 10.696 213 HB3 PRO 30 1HB PRO 30 1.481 5.273 10.749 214 HG2 PRO 30 2HG PRO 30 1.795 2.294 10.602 215 HG3 PRO 30 1HG PRO 30 0.683 3.256 11.596 216 HD2 PRO 30 2HD PRO 30 -0.157 2.048 9.355 217 HD3 PRO 30 1HD PRO 30 -0.767 3.654 9.814 218 H ARG 31 H ARG 31 4.063 5.824 8.246 219 HA ARG 31 HA ARG 31 5.293 3.932 6.494 220 HB2 ARG 31 2HB ARG 31 5.544 6.421 6.329 221 HB3 ARG 31 1HB ARG 31 6.568 6.368 7.759 222 HG2 ARG 31 2HG ARG 31 8.151 4.924 6.560 223 HG3 ARG 31 1HG ARG 31 7.122 4.995 5.130 224 HD2 ARG 31 2HD ARG 31 7.439 7.451 5.072 225 HD3 ARG 31 1HD ARG 31 8.546 7.314 6.441 226 HE ARG 31 HE ARG 31 9.207 5.684 4.151 227 HH11 ARG 31 1HH1 ARG 31 9.701 8.706 5.742 228 HH12 ARG 31 2HH1 ARG 31 11.199 8.995 4.927 229 HH21 ARG 31 1HH2 ARG 31 11.090 6.069 3.116 230 HH22 ARG 31 2HH2 ARG 31 11.968 7.527 3.431 231 H SER 32 H SER 32 5.098 3.896 9.807 232 HA SER 32 HA SER 32 7.637 3.033 10.630 233 HB2 SER 32 2HB SER 32 6.476 1.920 12.506 234 HB3 SER 32 1HB SER 32 5.852 3.545 12.238 235 HG SER 32 HG SER 32 4.626 1.072 11.862 236 H ALA 33 H ALA 33 5.144 1.426 8.823 237 HA ALA 33 HA ALA 33 6.608 -1.109 8.782 238 HB1 ALA 33 3HB ALA 33 4.760 -1.926 7.400 239 HB2 ALA 33 1HB ALA 33 4.067 -0.304 7.346 240 HB3 ALA 33 2HB ALA 33 4.153 -1.176 8.876 241 H ALA 34 H ALA 34 7.897 -1.753 7.108 242 HA ALA 34 HA ALA 34 8.693 0.321 5.234 243 HB1 ALA 34 3HB ALA 34 9.914 -2.388 5.760 244 HB2 ALA 34 1HB ALA 34 10.407 -0.866 6.502 245 HB3 ALA 34 2HB ALA 34 10.614 -1.109 4.768 246 H VAL 35 H VAL 35 8.732 0.158 2.996 247 HA VAL 35 HA VAL 35 6.817 -1.666 1.793 248 HB VAL 35 HB VAL 35 7.184 -0.423 -0.284 249 HG11 VAL 35 1HG1 VAL 35 6.868 1.407 2.098 250 HG12 VAL 35 2HG1 VAL 35 5.586 0.473 1.327 251 HG13 VAL 35 3HG1 VAL 35 6.384 1.774 0.442 252 HG21 VAL 35 3HG2 VAL 35 9.300 1.092 1.257 253 HG22 VAL 35 1HG2 VAL 35 8.713 1.506 -0.354 254 HG23 VAL 35 2HG2 VAL 35 9.578 -0.008 -0.093 255 H ILE 36 H ILE 36 10.076 -1.808 2.474 256 HA ILE 36 HA ILE 36 10.991 -3.089 0.066 257 HB ILE 36 HB ILE 36 13.101 -3.496 1.385 258 HG12 ILE 36 2HG1 ILE 36 13.280 -2.012 3.483 259 HG13 ILE 36 1HG1 ILE 36 11.524 -2.027 3.513 260 HG21 ILE 36 1HG2 ILE 36 13.760 -1.122 1.368 261 HG22 ILE 36 2HG2 ILE 36 12.062 -0.668 1.212 262 HG23 ILE 36 3HG2 ILE 36 12.851 -1.580 -0.074 263 HD11 ILE 36 3HD1 ILE 36 11.545 -4.449 3.772 264 HD12 ILE 36 1HD1 ILE 36 12.472 -3.653 5.043 265 HD13 ILE 36 2HD1 ILE 36 13.309 -4.444 3.707 266 H ASN 37 H ASN 37 12.361 -5.239 0.476 267 HA ASN 37 HA ASN 37 10.318 -7.163 1.373 268 HB2 ASN 37 2HB ASN 37 12.536 -7.386 -0.662 269 HB3 ASN 37 1HB ASN 37 11.614 -8.778 -0.101 270 HD21 ASN 37 1HD2 ASN 37 11.516 -5.846 -1.958 271 HD22 ASN 37 2HD2 ASN 37 9.997 -6.155 -2.715 272 H ASP 38 H ASP 38 10.714 -7.704 3.451 273 HA ASP 38 HA ASP 38 13.380 -8.782 4.106 274 HB2 ASP 38 2HB ASP 38 11.113 -7.866 5.878 275 HB3 ASP 38 1HB ASP 38 12.506 -8.749 6.490 276 H LEU 39 H LEU 39 11.196 -10.104 2.515 277 HA LEU 39 HA LEU 39 10.156 -12.234 4.109 278 HB2 LEU 39 2HB LEU 39 10.466 -12.030 1.103 279 HB3 LEU 39 1HB LEU 39 9.599 -13.307 1.934 280 HG LEU 39 HG LEU 39 7.936 -11.838 1.155 281 HD11 LEU 39 1HD1 LEU 39 6.888 -10.956 3.155 282 HD12 LEU 39 2HD1 LEU 39 8.417 -11.064 4.029 283 HD13 LEU 39 3HD1 LEU 39 7.608 -12.533 3.480 284 HD21 LEU 39 3HD2 LEU 39 9.413 -9.945 0.612 285 HD22 LEU 39 1HD2 LEU 39 9.464 -9.511 2.321 286 HD23 LEU 39 2HD2 LEU 39 7.939 -9.436 1.435 287 H HIS 40 H HIS 40 11.924 -13.064 5.220 288 HA HIS 40 HA HIS 40 14.023 -14.390 3.620 289 HB2 HIS 40 2HB HIS 40 14.743 -12.552 5.150 290 HB3 HIS 40 1HB HIS 40 14.145 -13.491 6.511 291 HD1 HIS 40 HD1 HIS 40 15.939 -14.736 7.671 292 HD2 HIS 40 HD2 HIS 40 16.807 -14.190 3.647 293 HE1 HIS 40 HE1 HIS 40 18.215 -15.732 7.336 294 HE2 HIS 40 HE2 HIS 40 18.783 -15.245 4.935 295 H GLY 41 H GLY 41 11.375 -14.980 5.682 296 HA2 GLY 41 2HA GLY 41 10.464 -16.919 6.500 297 HA3 GLY 41 1HA GLY 41 11.571 -17.782 5.447 298 H GLU 42 H GLU 42 12.246 -19.377 6.773 299 HA GLU 42 HA GLU 42 13.199 -18.750 9.467 300 HB2 GLU 42 2HB GLU 42 12.778 -21.373 8.020 301 HB3 GLU 42 1HB GLU 42 13.465 -21.259 9.633 302 HG2 GLU 42 2HG GLU 42 11.123 -21.826 9.763 303 HG3 GLU 42 1HG GLU 42 11.394 -20.226 10.444 304 H GLY 43 H GLY 43 14.527 -18.684 6.462 305 HA2 GLY 43 2HA GLY 43 17.162 -18.360 7.223 306 HA3 GLY 43 1HA GLY 43 17.000 -20.071 6.865 307 HA PRO 44 HA PRO 44 17.650 -18.853 2.611 308 HB2 PRO 44 2HB PRO 44 16.838 -21.409 1.611 309 HB3 PRO 44 1HB PRO 44 18.479 -20.847 1.928 310 HG2 PRO 44 2HG PRO 44 17.171 -22.861 3.334 311 HG3 PRO 44 1HG PRO 44 18.595 -21.973 3.902 312 HD2 PRO 44 2HD PRO 44 15.711 -21.588 4.600 313 HD3 PRO 44 1HD PRO 44 17.156 -21.424 5.623 314 HA PRO 45 HA PRO 45 13.293 -17.874 1.647 315 HB2 PRO 45 2HB PRO 45 13.844 -15.901 -0.153 316 HB3 PRO 45 1HB PRO 45 13.882 -15.645 1.596 317 HG2 PRO 45 2HG PRO 45 16.154 -16.173 -0.292 318 HG3 PRO 45 1HG PRO 45 16.050 -14.990 1.027 319 HD2 PRO 45 2HD PRO 45 17.350 -17.348 1.302 320 HD3 PRO 45 1HD PRO 45 16.490 -16.580 2.655 321 HA PRO 46 HA PRO 46 12.606 -20.327 -1.989 322 HB2 PRO 46 2HB PRO 46 10.457 -18.993 -3.114 323 HB3 PRO 46 1HB PRO 46 10.337 -20.127 -1.766 324 HG2 PRO 46 2HG PRO 46 10.454 -17.132 -1.719 325 HG3 PRO 46 1HG PRO 46 9.425 -18.225 -0.775 326 HD2 PRO 46 2HD PRO 46 11.600 -17.101 0.308 327 HD3 PRO 46 1HD PRO 46 11.144 -18.772 0.701 328 HA PRO 47 HA PRO 47 14.788 -18.348 -5.312 329 HB2 PRO 47 2HB PRO 47 14.303 -20.077 -7.333 330 HB3 PRO 47 1HB PRO 47 15.318 -20.510 -5.951 331 HG2 PRO 47 2HG PRO 47 12.426 -21.151 -6.444 332 HG3 PRO 47 1HG PRO 47 13.724 -22.223 -5.885 333 HD2 PRO 47 2HD PRO 47 11.941 -21.090 -4.184 334 HD3 PRO 47 1HD PRO 47 13.620 -21.427 -3.715 335 H VAL 48 H VAL 48 11.393 -18.583 -5.310 336 HA VAL 48 HA VAL 48 11.201 -16.653 -7.535 337 HB VAL 48 HB VAL 48 9.221 -18.879 -6.982 338 HG11 VAL 48 1HG1 VAL 48 8.131 -16.847 -7.788 339 HG12 VAL 48 2HG1 VAL 48 8.093 -18.110 -9.018 340 HG13 VAL 48 3HG1 VAL 48 9.242 -16.780 -9.156 341 HG21 VAL 48 3HG2 VAL 48 11.254 -19.747 -8.018 342 HG22 VAL 48 1HG2 VAL 48 11.148 -18.527 -9.285 343 HG23 VAL 48 2HG2 VAL 48 9.914 -19.782 -9.165 344 HA PRO 49 HA PRO 49 8.707 -14.679 -4.279 345 HB2 PRO 49 2HB PRO 49 9.741 -12.214 -4.507 346 HB3 PRO 49 1HB PRO 49 10.620 -13.503 -3.680 347 HG2 PRO 49 2HG PRO 49 11.129 -12.279 -6.326 348 HG3 PRO 49 1HG PRO 49 12.254 -13.101 -5.234 349 HD2 PRO 49 2HD PRO 49 10.901 -14.179 -7.546 350 HD3 PRO 49 1HD PRO 49 12.051 -14.996 -6.470 351 HA PRO 50 HA PRO 50 6.187 -13.326 -7.956 352 HB2 PRO 50 2HB PRO 50 3.807 -14.288 -7.124 353 HB3 PRO 50 1HB PRO 50 5.036 -15.329 -7.852 354 HG2 PRO 50 2HG PRO 50 4.381 -14.917 -4.952 355 HG3 PRO 50 1HG PRO 50 4.696 -16.431 -5.821 356 HD2 PRO 50 2HD PRO 50 6.578 -15.164 -4.303 357 HD3 PRO 50 1HD PRO 50 6.982 -16.161 -5.715 358 H ALA 51 H ALA 51 5.917 -12.629 -4.563 359 HA ALA 51 HA ALA 51 3.841 -10.620 -4.909 360 HB1 ALA 51 3HB ALA 51 4.012 -10.276 -2.515 361 HB2 ALA 51 1HB ALA 51 5.464 -11.274 -2.445 362 HB3 ALA 51 2HB ALA 51 3.913 -12.001 -2.867 363 H GLN 52 H GLN 52 7.315 -10.678 -4.137 364 HA GLN 52 HA GLN 52 8.929 -9.079 -4.082 365 HB2 GLN 52 2HB GLN 52 8.263 -9.009 -6.506 366 HB3 GLN 52 1HB GLN 52 7.211 -7.654 -6.129 367 HG2 GLN 52 2HG GLN 52 9.246 -6.825 -7.083 368 HG3 GLN 52 1HG GLN 52 9.186 -6.366 -5.384 369 HE21 GLN 52 1HE2 GLN 52 11.468 -6.622 -7.188 370 HE22 GLN 52 2HE2 GLN 52 12.546 -7.742 -6.432 371 H HIS 53 H HIS 53 6.435 -8.771 -2.400 372 HA HIS 53 HA HIS 53 7.087 -6.147 -1.325 373 HB2 HIS 53 2HB HIS 53 4.269 -6.921 -2.131 374 HB3 HIS 53 1HB HIS 53 4.660 -5.542 -1.111 375 HD1 HIS 53 HD1 HIS 53 4.727 -6.699 -4.663 376 HD2 HIS 53 HD2 HIS 53 5.756 -3.331 -2.458 377 HE1 HIS 53 HE1 HIS 53 5.125 -4.892 -6.352 378 HE2 HIS 53 HE2 HIS 53 5.511 -2.817 -4.979 379 HA PRO 54 HA PRO 54 6.558 -8.353 2.530 380 HB2 PRO 54 2HB PRO 54 5.965 -6.274 4.200 381 HB3 PRO 54 1HB PRO 54 7.591 -6.598 3.591 382 HG2 PRO 54 2HG PRO 54 5.556 -4.634 2.585 383 HG3 PRO 54 1HG PRO 54 7.295 -4.402 2.856 384 HD2 PRO 54 2HD PRO 54 6.289 -4.851 0.397 385 HD3 PRO 54 1HD PRO 54 7.873 -5.489 0.888 386 H ASN 55 H ASN 55 4.019 -6.276 1.317 387 HA ASN 55 HA ASN 55 1.784 -6.113 1.664 388 HB2 ASN 55 2HB ASN 55 2.157 -9.091 2.053 389 HB3 ASN 55 1HB ASN 55 0.575 -8.321 1.955 390 HD21 ASN 55 1HD2 ASN 55 -0.091 -7.423 -0.009 391 HD22 ASN 55 2HD2 ASN 55 0.680 -7.826 -1.502 392 HA PRO 56 HA PRO 56 2.074 -6.030 6.374 393 HB2 PRO 56 2HB PRO 56 2.006 -3.323 6.617 394 HB3 PRO 56 1HB PRO 56 3.516 -4.230 6.439 395 HG2 PRO 56 2HG PRO 56 1.930 -2.764 4.353 396 HG3 PRO 56 1HG PRO 56 3.680 -2.747 4.640 397 HD2 PRO 56 2HD PRO 56 2.561 -4.255 2.696 398 HD3 PRO 56 1HD PRO 56 4.003 -4.788 3.585 399 H CYS 57 H CYS 57 0.100 -4.918 3.817 400 HA CYS 57 HA CYS 57 -2.046 -3.851 5.463 401 HB2 CYS 57 2HB CYS 57 -2.317 -4.418 2.520 402 HB3 CYS 57 1HB CYS 57 -2.994 -3.095 3.465 403 HA PRO 58 HA PRO 58 -4.553 -7.416 6.170 404 HB2 PRO 58 2HB PRO 58 -6.720 -5.985 4.660 405 HB3 PRO 58 1HB PRO 58 -6.791 -6.791 6.234 406 HG2 PRO 58 2HG PRO 58 -6.643 -4.143 6.108 407 HG3 PRO 58 1HG PRO 58 -5.719 -5.038 7.331 408 HD2 PRO 58 2HD PRO 58 -4.768 -3.732 4.818 409 HD3 PRO 58 1HD PRO 58 -3.948 -3.908 6.383 410 HA PRO 59 HA PRO 59 -4.207 -10.151 2.675 411 HB2 PRO 59 2HB PRO 59 -6.491 -11.715 3.231 412 HB3 PRO 59 1HB PRO 59 -4.847 -12.019 3.795 413 HG2 PRO 59 2HG PRO 59 -7.121 -10.688 5.198 414 HG3 PRO 59 1HG PRO 59 -5.854 -11.743 5.854 415 HD2 PRO 59 2HD PRO 59 -5.776 -9.100 6.248 416 HD3 PRO 59 1HD PRO 59 -4.284 -10.014 5.931 417 H GLY 60 H GLY 60 -4.828 -9.953 0.594 418 HA2 GLY 60 2HA GLY 60 -6.435 -9.715 -1.168 419 HA3 GLY 60 1HA GLY 60 -7.538 -8.963 -0.026 420 H TYR 61 H TYR 61 -5.491 -7.176 1.076 421 HA TYR 61 HA TYR 61 -5.550 -5.142 -1.016 422 HB2 TYR 61 2HB TYR 61 -4.845 -5.001 1.923 423 HB3 TYR 61 1HB TYR 61 -4.740 -3.624 0.830 424 HD1 TYR 61 HD2 TYR 61 -7.049 -5.964 2.506 425 HD2 TYR 61 HD1 TYR 61 -6.719 -2.473 0.084 426 HE1 TYR 61 HE2 TYR 61 -9.421 -5.469 2.899 427 HE2 TYR 61 HE1 TYR 61 -9.094 -1.974 0.474 428 HH TYR 61 HH TYR 61 -10.943 -3.602 2.853 429 H GLU 62 H GLU 62 -3.859 -4.472 -2.135 430 HA GLU 62 HA GLU 62 -1.204 -5.559 -1.478 431 HB2 GLU 62 2HB GLU 62 -0.806 -5.488 -3.950 432 HB3 GLU 62 1HB GLU 62 -2.085 -6.591 -3.460 433 HG2 GLU 62 2HG GLU 62 -3.719 -4.731 -4.015 434 HG3 GLU 62 1HG GLU 62 -2.364 -3.895 -4.769 435 HA PRO 63 HA PRO 63 0.148 -1.346 -1.112 436 HB2 PRO 63 2HB PRO 63 2.833 -1.697 -1.323 437 HB3 PRO 63 1HB PRO 63 1.911 -2.178 0.106 438 HG2 PRO 63 2HG PRO 63 2.895 -3.864 -2.169 439 HG3 PRO 63 1HG PRO 63 2.891 -4.221 -0.430 440 HD2 PRO 63 2HD PRO 63 1.033 -5.206 -2.172 441 HD3 PRO 63 1HD PRO 63 0.696 -4.909 -0.457 442 H ASP 64 H ASP 64 0.124 0.262 -2.535 443 HA ASP 64 HA ASP 64 0.632 -0.306 -5.351 444 HB2 ASP 64 2HB ASP 64 -1.455 0.814 -4.698 445 HB3 ASP 64 1HB ASP 64 -0.534 2.144 -4.003 446 H ASP 65 H ASP 65 2.401 0.355 -6.453 447 HA ASP 65 HA ASP 65 4.407 1.921 -5.005 448 HB2 ASP 65 2HB ASP 65 4.671 0.429 -7.624 449 HB3 ASP 65 1HB ASP 65 5.986 1.141 -6.695 450 H GLN 66 H GLN 66 4.211 4.078 -5.266 451 HA GLN 66 HA GLN 66 3.916 5.104 -8.024 452 HB2 GLN 66 2HB GLN 66 2.968 7.131 -7.160 453 HB3 GLN 66 1HB GLN 66 2.095 5.790 -6.434 454 HG2 GLN 66 2HG GLN 66 3.283 6.068 -4.362 455 HG3 GLN 66 1HG GLN 66 4.329 7.293 -5.076 456 HE21 GLN 66 1HE2 GLN 66 2.037 8.494 -6.549 457 HE22 GLN 66 2HE2 GLN 66 1.163 9.379 -5.354 458 H ASP 67 H ASP 67 5.425 6.569 -8.796 459 HA ASP 67 HA ASP 67 7.740 7.133 -7.075 460 HB2 ASP 67 2HB ASP 67 8.863 7.782 -9.247 461 HB3 ASP 67 1HB ASP 67 8.420 6.085 -9.107 462 H SER 68 H SER 68 7.368 8.934 -5.943 463 HA SER 68 HA SER 68 5.960 11.206 -7.038 464 HB2 SER 68 2HB SER 68 5.758 10.684 -4.650 465 HB3 SER 68 1HB SER 68 7.491 10.926 -4.435 466 HG SER 68 HG SER 68 6.678 13.120 -5.560 467 H CYS 69 H CYS 69 9.248 10.180 -6.835 468 HA CYS 69 HA CYS 69 11.210 11.049 -7.577 469 HB2 CYS 69 2HB CYS 69 9.391 12.889 -9.153 470 HB3 CYS 69 1HB CYS 69 11.118 12.670 -9.446 471 H VAL 70 H VAL 70 9.767 12.291 -5.222 472 HA VAL 70 HA VAL 70 11.250 14.844 -5.112 473 HB VAL 70 HB VAL 70 8.887 13.974 -3.423 474 HG11 VAL 70 1HG1 VAL 70 8.904 16.280 -2.564 475 HG12 VAL 70 2HG1 VAL 70 10.372 16.607 -3.486 476 HG13 VAL 70 3HG1 VAL 70 10.400 15.428 -2.175 477 HG21 VAL 70 3HG2 VAL 70 7.643 15.726 -4.620 478 HG22 VAL 70 1HG2 VAL 70 8.220 14.469 -5.715 479 HG23 VAL 70 2HG2 VAL 70 9.053 16.022 -5.640 480 H ASP 71 H ASP 71 12.929 14.978 -3.747 481 HA ASP 71 HA ASP 71 13.829 12.766 -2.224 482 HB2 ASP 71 2HB ASP 71 14.719 15.660 -2.170 483 HB3 ASP 71 1HB ASP 71 15.576 14.329 -1.397 Start of MODEL 5 1 H1 SER 1 1H SER 1 -3.365 5.859 -19.069 2 H2 SER 1 2H SER 1 -1.956 4.927 -19.123 3 H3 SER 1 3H SER 1 -2.076 6.214 -18.028 4 HA SER 1 HA SER 1 -3.874 5.087 -16.868 5 HB2 SER 1 2HB SER 1 -4.815 3.758 -18.647 6 HB3 SER 1 1HB SER 1 -3.298 2.892 -18.875 7 HG SER 1 HG SER 1 -3.986 1.527 -17.451 8 H ASP 2 H ASP 2 -0.879 3.605 -18.099 9 HA ASP 2 HA ASP 2 -0.366 2.037 -15.807 10 HB2 ASP 2 2HB ASP 2 1.576 3.052 -17.897 11 HB3 ASP 2 1HB ASP 2 1.900 1.761 -16.743 12 H VAL 3 H VAL 3 1.489 4.917 -16.870 13 HA VAL 3 HA VAL 3 1.991 5.541 -14.022 14 HB VAL 3 HB VAL 3 4.283 6.239 -14.596 15 HG11 VAL 3 1HG1 VAL 3 3.924 3.986 -13.745 16 HG12 VAL 3 2HG1 VAL 3 5.244 4.000 -14.912 17 HG13 VAL 3 3HG1 VAL 3 3.658 3.389 -15.382 18 HG21 VAL 3 3HG2 VAL 3 3.662 5.124 -17.342 19 HG22 VAL 3 1HG2 VAL 3 5.259 5.621 -16.781 20 HG23 VAL 3 2HG2 VAL 3 3.970 6.814 -16.942 21 H ASN 4 H ASN 4 2.354 7.741 -13.496 22 HA ASN 4 HA ASN 4 1.819 9.735 -15.594 23 HB2 ASN 4 2HB ASN 4 0.462 9.618 -12.883 24 HB3 ASN 4 1HB ASN 4 0.368 10.990 -13.985 25 HD21 ASN 4 1HD2 ASN 4 -0.709 10.717 -15.972 26 HD22 ASN 4 2HD2 ASN 4 -1.887 9.471 -16.188 27 H GLU 5 H GLU 5 2.470 11.961 -14.926 28 HA GLU 5 HA GLU 5 5.028 11.788 -13.502 29 HB2 GLU 5 2HB GLU 5 3.906 14.009 -15.224 30 HB3 GLU 5 1HB GLU 5 5.527 13.954 -14.550 31 HG2 GLU 5 2HG GLU 5 5.986 11.925 -15.870 32 HG3 GLU 5 1HG GLU 5 4.378 12.055 -16.588 33 H CYS 6 H CYS 6 5.475 14.367 -12.727 34 HA CYS 6 HA CYS 6 4.405 14.361 -10.137 35 HB2 CYS 6 2HB CYS 6 5.855 16.539 -11.643 36 HB3 CYS 6 1HB CYS 6 5.453 16.644 -9.930 37 H LEU 7 H LEU 7 3.019 15.702 -12.992 38 HA LEU 7 HA LEU 7 1.353 17.610 -11.591 39 HB2 LEU 7 2HB LEU 7 0.425 18.188 -13.670 40 HB3 LEU 7 1HB LEU 7 2.117 17.868 -13.990 41 HG LEU 7 HG LEU 7 -0.160 15.961 -14.590 42 HD11 LEU 7 1HD1 LEU 7 -0.244 17.920 -16.029 43 HD12 LEU 7 2HD1 LEU 7 0.269 16.501 -16.940 44 HD13 LEU 7 3HD1 LEU 7 1.457 17.709 -16.449 45 HD21 LEU 7 3HD2 LEU 7 1.520 14.711 -15.875 46 HD22 LEU 7 1HD2 LEU 7 1.895 14.755 -14.153 47 HD23 LEU 7 2HD2 LEU 7 2.775 15.795 -15.274 48 H THR 8 H THR 8 1.302 14.411 -11.406 49 HA THR 8 HA THR 8 -1.363 13.675 -12.067 50 HB THR 8 HB THR 8 0.468 12.017 -11.838 51 HG1 THR 8 HG1 THR 8 -0.880 10.557 -10.382 52 HG21 THR 8 3HG2 THR 8 1.131 11.240 -9.596 53 HG22 THR 8 1HG2 THR 8 0.179 12.533 -8.865 54 HG23 THR 8 2HG2 THR 8 1.588 12.923 -9.851 55 H ILE 9 H ILE 9 -3.052 13.022 -10.598 56 HA ILE 9 HA ILE 9 -3.512 14.935 -8.484 57 HB ILE 9 HB ILE 9 -5.194 12.585 -9.408 58 HG12 ILE 9 2HG1 ILE 9 -4.881 14.254 -11.180 59 HG13 ILE 9 1HG1 ILE 9 -6.540 14.282 -10.595 60 HG21 ILE 9 1HG2 ILE 9 -5.969 14.920 -7.650 61 HG22 ILE 9 2HG2 ILE 9 -5.737 13.256 -7.115 62 HG23 ILE 9 3HG2 ILE 9 -7.048 13.649 -8.225 63 HD11 ILE 9 3HD1 ILE 9 -6.042 16.272 -9.272 64 HD12 ILE 9 1HD1 ILE 9 -5.697 16.526 -10.982 65 HD13 ILE 9 2HD1 ILE 9 -4.375 16.242 -9.851 66 HA PRO 10 HA PRO 10 -1.800 12.521 -5.126 67 HB2 PRO 10 2HB PRO 10 -3.896 13.880 -3.493 68 HB3 PRO 10 1HB PRO 10 -2.146 13.808 -3.250 69 HG2 PRO 10 2HG PRO 10 -3.282 16.036 -4.156 70 HG3 PRO 10 1HG PRO 10 -1.727 15.485 -4.812 71 HD2 PRO 10 2HD PRO 10 -4.473 15.260 -6.004 72 HD3 PRO 10 1HD PRO 10 -2.932 15.665 -6.790 73 H GLU 11 H GLU 11 -2.871 10.582 -6.196 74 HA GLU 11 HA GLU 11 -5.179 9.556 -4.731 75 HB2 GLU 11 2HB GLU 11 -3.546 8.434 -7.014 76 HB3 GLU 11 1HB GLU 11 -4.818 7.521 -6.210 77 HG2 GLU 11 2HG GLU 11 -6.426 9.312 -6.815 78 HG3 GLU 11 1HG GLU 11 -5.139 10.117 -7.716 79 H ALA 12 H ALA 12 -2.089 9.889 -3.945 80 HA ALA 12 HA ALA 12 -2.120 7.493 -2.231 81 HB1 ALA 12 3HB ALA 12 0.333 8.697 -3.532 82 HB2 ALA 12 1HB ALA 12 -0.423 7.164 -3.968 83 HB3 ALA 12 2HB ALA 12 0.327 7.357 -2.382 84 H CYS 13 H CYS 13 -0.792 7.807 -0.221 85 HA CYS 13 HA CYS 13 -1.265 10.524 0.792 86 HB2 CYS 13 2HB CYS 13 -0.874 7.897 2.242 87 HB3 CYS 13 1HB CYS 13 -1.101 9.449 3.042 88 H LYS 14 H LYS 14 0.306 11.778 1.736 89 HA LYS 14 HA LYS 14 3.014 11.254 0.901 90 HB2 LYS 14 2HB LYS 14 2.156 13.512 0.761 91 HB3 LYS 14 1HB LYS 14 1.801 13.528 2.484 92 HG2 LYS 14 2HG LYS 14 4.228 13.325 2.946 93 HG3 LYS 14 1HG LYS 14 4.535 13.432 1.211 94 HD2 LYS 14 2HD LYS 14 3.587 15.663 1.143 95 HD3 LYS 14 1HD LYS 14 3.127 15.552 2.843 96 HE2 LYS 14 2HE LYS 14 5.515 15.341 3.443 97 HE3 LYS 14 1HE LYS 14 5.939 15.543 1.743 98 HZ1 LYS 14 3HZ LYS 14 4.488 17.541 3.393 99 HZ2 LYS 14 1HZ LYS 14 4.967 17.738 1.783 100 HZ3 LYS 14 2HZ LYS 14 6.132 17.608 3.000 101 H GLY 15 H GLY 15 4.591 10.282 2.049 102 HA2 GLY 15 2HA GLY 15 5.824 9.538 3.859 103 HA3 GLY 15 1HA GLY 15 4.855 10.572 4.894 104 H GLU 16 H GLU 16 2.814 8.659 3.112 105 HA GLU 16 HA GLU 16 2.689 6.530 5.150 106 HB2 GLU 16 2HB GLU 16 0.300 8.015 4.005 107 HB3 GLU 16 1HB GLU 16 0.258 6.752 5.229 108 HG2 GLU 16 2HG GLU 16 1.378 8.177 6.817 109 HG3 GLU 16 1HG GLU 16 1.618 9.419 5.591 110 H MET 17 H MET 17 1.765 4.525 4.382 111 HA MET 17 HA MET 17 2.422 4.148 1.564 112 HB2 MET 17 2HB MET 17 1.854 2.128 3.740 113 HB3 MET 17 1HB MET 17 2.346 1.730 2.103 114 HG2 MET 17 2HG MET 17 4.452 3.004 2.498 115 HG3 MET 17 1HG MET 17 3.955 3.198 4.180 116 HE1 MET 17 3HE MET 17 3.377 1.063 5.751 117 HE2 MET 17 1HE MET 17 3.748 -0.601 5.296 118 HE3 MET 17 2HE MET 17 2.443 0.264 4.482 119 H LYS 18 H LYS 18 1.074 3.467 0.005 120 HA LYS 18 HA LYS 18 -1.788 3.504 0.557 121 HB2 LYS 18 2HB LYS 18 -0.969 4.847 -1.301 122 HB3 LYS 18 1HB LYS 18 -0.224 3.436 -2.037 123 HG2 LYS 18 2HG LYS 18 -2.372 2.474 -2.522 124 HG3 LYS 18 1HG LYS 18 -3.195 3.739 -1.607 125 HD2 LYS 18 2HD LYS 18 -2.470 5.420 -3.207 126 HD3 LYS 18 1HD LYS 18 -1.528 4.215 -4.087 127 HE2 LYS 18 2HE LYS 18 -3.498 3.083 -4.809 128 HE3 LYS 18 1HE LYS 18 -4.515 4.015 -3.712 129 HZ1 LYS 18 3HZ LYS 18 -4.142 5.970 -4.996 130 HZ2 LYS 18 1HZ LYS 18 -4.639 4.748 -6.052 131 HZ3 LYS 18 2HZ LYS 18 -3.008 5.192 -5.983 132 H CYS 19 H CYS 19 -2.703 1.640 1.143 133 HA CYS 19 HA CYS 19 -1.765 -0.900 -0.035 134 HB2 CYS 19 2HB CYS 19 -3.552 -0.494 2.383 135 HB3 CYS 19 1HB CYS 19 -2.881 -2.022 1.822 136 H ILE 20 H ILE 20 -2.899 -1.468 -1.781 137 HA ILE 20 HA ILE 20 -5.828 -1.136 -1.778 138 HB ILE 20 HB ILE 20 -5.795 -0.509 -4.152 139 HG12 ILE 20 2HG1 ILE 20 -2.779 -0.336 -3.838 140 HG13 ILE 20 1HG1 ILE 20 -3.633 -1.586 -4.738 141 HG21 ILE 20 1HG2 ILE 20 -4.102 1.330 -2.451 142 HG22 ILE 20 2HG2 ILE 20 -5.863 1.254 -2.456 143 HG23 ILE 20 3HG2 ILE 20 -5.003 1.788 -3.897 144 HD11 ILE 20 3HD1 ILE 20 -4.493 0.121 -6.268 145 HD12 ILE 20 1HD1 ILE 20 -2.729 0.086 -6.231 146 HD13 ILE 20 2HD1 ILE 20 -3.604 1.356 -5.374 147 H ASN 21 H ASN 21 -6.934 -2.543 -3.341 148 HA ASN 21 HA ASN 21 -5.308 -4.847 -4.217 149 HB2 ASN 21 2HB ASN 21 -7.288 -6.299 -3.845 150 HB3 ASN 21 1HB ASN 21 -6.659 -5.596 -2.363 151 HD21 ASN 21 1HD2 ASN 21 -8.588 -5.885 -1.293 152 HD22 ASN 21 2HD2 ASN 21 -9.985 -4.921 -1.614 153 H HIS 22 H HIS 22 -6.300 -6.058 -6.063 154 HA HIS 22 HA HIS 22 -6.879 -4.255 -8.177 155 HB2 HIS 22 2HB HIS 22 -6.887 -7.265 -7.989 156 HB3 HIS 22 1HB HIS 22 -7.373 -6.437 -9.465 157 HD1 HIS 22 HD1 HIS 22 -4.342 -6.724 -7.177 158 HD2 HIS 22 HD2 HIS 22 -5.308 -5.679 -11.083 159 HE1 HIS 22 HE1 HIS 22 -2.153 -6.392 -8.345 160 HE2 HIS 22 HE2 HIS 22 -2.756 -5.624 -10.656 161 H TYR 23 H TYR 23 -8.923 -5.517 -5.817 162 HA TYR 23 HA TYR 23 -11.353 -5.591 -7.343 163 HB2 TYR 23 2HB TYR 23 -10.775 -5.582 -4.383 164 HB3 TYR 23 1HB TYR 23 -12.418 -5.547 -5.013 165 HD1 TYR 23 HD1 TYR 23 -9.267 -7.491 -5.593 166 HD2 TYR 23 HD2 TYR 23 -13.497 -7.588 -5.129 167 HE1 TYR 23 HE1 TYR 23 -9.235 -9.936 -5.810 168 HE2 TYR 23 HE2 TYR 23 -13.469 -10.032 -5.344 169 HH TYR 23 HH TYR 23 -12.035 -11.782 -6.304 170 H GLY 24 H GLY 24 -9.543 -3.097 -5.701 171 HA2 GLY 24 2HA GLY 24 -9.987 -0.807 -6.497 172 HA3 GLY 24 1HA GLY 24 -11.697 -1.167 -6.374 173 H GLY 25 H GLY 25 -9.968 -2.431 -3.734 174 HA2 GLY 25 2HA GLY 25 -11.081 -0.502 -1.904 175 HA3 GLY 25 1HA GLY 25 -10.066 -1.872 -1.483 176 H TYR 26 H TYR 26 -10.010 1.015 -0.623 177 HA TYR 26 HA TYR 26 -7.213 1.615 -1.353 178 HB2 TYR 26 2HB TYR 26 -8.590 3.114 -2.656 179 HB3 TYR 26 1HB TYR 26 -9.526 3.565 -1.238 180 HD1 TYR 26 HD2 TYR 26 -6.183 3.838 -2.820 181 HD2 TYR 26 HD1 TYR 26 -8.797 5.325 0.194 182 HE1 TYR 26 HE2 TYR 26 -4.653 5.721 -2.423 183 HE2 TYR 26 HE1 TYR 26 -7.272 7.205 0.596 184 HH TYR 26 HH TYR 26 -4.886 7.742 0.286 185 H LEU 27 H LEU 27 -5.960 1.631 0.404 186 HA LEU 27 HA LEU 27 -6.956 2.915 2.871 187 HB2 LEU 27 2HB LEU 27 -5.341 0.362 2.716 188 HB3 LEU 27 1HB LEU 27 -5.715 1.219 4.197 189 HG LEU 27 HG LEU 27 -7.746 -0.085 2.371 190 HD11 LEU 27 1HD1 LEU 27 -6.711 -0.943 5.075 191 HD12 LEU 27 2HD1 LEU 27 -6.397 -1.743 3.533 192 HD13 LEU 27 3HD1 LEU 27 -8.034 -1.704 4.188 193 HD21 LEU 27 3HD2 LEU 27 -8.101 1.248 5.058 194 HD22 LEU 27 1HD2 LEU 27 -9.347 0.369 4.170 195 HD23 LEU 27 2HD2 LEU 27 -8.677 1.858 3.506 196 H CYS 28 H CYS 28 -5.415 4.073 4.080 197 HA CYS 28 HA CYS 28 -2.649 4.139 3.015 198 HB2 CYS 28 2HB CYS 28 -4.358 6.394 4.037 199 HB3 CYS 28 1HB CYS 28 -2.603 6.496 4.119 200 H LEU 29 H LEU 29 -1.269 3.202 4.384 201 HA LEU 29 HA LEU 29 -1.875 3.209 7.273 202 HB2 LEU 29 2HB LEU 29 -0.057 1.407 5.660 203 HB3 LEU 29 1HB LEU 29 -0.262 1.316 7.397 204 HG LEU 29 HG LEU 29 -2.386 0.766 5.312 205 HD11 LEU 29 1HD1 LEU 29 -2.293 -1.524 6.179 206 HD12 LEU 29 2HD1 LEU 29 -0.967 -1.065 7.249 207 HD13 LEU 29 3HD1 LEU 29 -0.747 -1.018 5.500 208 HD21 LEU 29 3HD2 LEU 29 -3.805 0.098 7.211 209 HD22 LEU 29 1HD2 LEU 29 -3.404 1.814 7.248 210 HD23 LEU 29 2HD2 LEU 29 -2.575 0.692 8.327 211 HA PRO 30 HA PRO 30 1.621 5.777 8.310 212 HB2 PRO 30 2HB PRO 30 2.293 3.818 10.443 213 HB3 PRO 30 1HB PRO 30 1.923 5.543 10.569 214 HG2 PRO 30 2HG PRO 30 0.155 3.692 11.351 215 HG3 PRO 30 1HG PRO 30 -0.372 5.188 10.555 216 HD2 PRO 30 2HD PRO 30 -0.107 2.424 9.425 217 HD3 PRO 30 1HD PRO 30 -1.372 3.641 9.148 218 H ARG 31 H ARG 31 3.986 5.785 8.481 219 HA ARG 31 HA ARG 31 5.178 3.851 6.692 220 HB2 ARG 31 2HB ARG 31 5.634 6.312 6.573 221 HB3 ARG 31 1HB ARG 31 6.502 6.184 8.098 222 HG2 ARG 31 2HG ARG 31 8.123 4.686 7.078 223 HG3 ARG 31 1HG ARG 31 7.224 4.717 5.561 224 HD2 ARG 31 2HD ARG 31 7.667 7.109 5.336 225 HD3 ARG 31 1HD ARG 31 8.526 7.104 6.879 226 HE ARG 31 HE ARG 31 9.873 5.254 5.482 227 HH11 ARG 31 1HH1 ARG 31 8.927 8.470 4.665 228 HH12 ARG 31 2HH1 ARG 31 10.293 8.708 3.630 229 HH21 ARG 31 1HH2 ARG 31 11.605 5.590 4.174 230 HH22 ARG 31 2HH2 ARG 31 11.790 7.104 3.356 231 H SER 32 H SER 32 4.476 3.474 9.780 232 HA SER 32 HA SER 32 6.741 2.630 11.146 233 HB2 SER 32 2HB SER 32 5.234 1.058 12.353 234 HB3 SER 32 1HB SER 32 4.518 2.663 12.188 235 HG SER 32 HG SER 32 3.156 0.759 11.663 236 H ALA 33 H ALA 33 4.931 1.014 8.602 237 HA ALA 33 HA ALA 33 7.017 -1.071 8.428 238 HB1 ALA 33 3HB ALA 33 4.720 -1.924 8.654 239 HB2 ALA 33 1HB ALA 33 5.430 -2.365 7.101 240 HB3 ALA 33 2HB ALA 33 4.254 -1.052 7.194 241 H ALA 34 H ALA 34 7.876 -1.571 6.285 242 HA ALA 34 HA ALA 34 7.754 0.744 4.449 243 HB1 ALA 34 3HB ALA 34 10.161 -0.988 5.027 244 HB2 ALA 34 1HB ALA 34 9.885 0.635 5.667 245 HB3 ALA 34 2HB ALA 34 10.106 0.396 3.933 246 H VAL 35 H VAL 35 7.570 0.380 2.287 247 HA VAL 35 HA VAL 35 6.824 -2.253 1.366 248 HB VAL 35 HB VAL 35 6.480 -1.121 -0.836 249 HG11 VAL 35 1HG1 VAL 35 5.180 0.244 1.526 250 HG12 VAL 35 2HG1 VAL 35 4.657 -1.270 0.785 251 HG13 VAL 35 3HG1 VAL 35 4.567 0.235 -0.130 252 HG21 VAL 35 3HG2 VAL 35 7.338 1.367 0.662 253 HG22 VAL 35 1HG2 VAL 35 6.643 1.332 -0.959 254 HG23 VAL 35 2HG2 VAL 35 8.218 0.597 -0.659 255 H ILE 36 H ILE 36 9.411 -2.430 2.211 256 HA ILE 36 HA ILE 36 11.365 -2.003 0.191 257 HB ILE 36 HB ILE 36 12.757 -3.620 1.621 258 HG12 ILE 36 2HG1 ILE 36 11.897 -3.872 3.984 259 HG13 ILE 36 1HG1 ILE 36 10.320 -3.344 3.415 260 HG21 ILE 36 1HG2 ILE 36 13.133 -1.908 3.334 261 HG22 ILE 36 2HG2 ILE 36 11.631 -1.111 2.867 262 HG23 ILE 36 3HG2 ILE 36 12.973 -1.203 1.726 263 HD11 ILE 36 3HD1 ILE 36 10.158 -5.300 1.994 264 HD12 ILE 36 1HD1 ILE 36 10.471 -5.769 3.665 265 HD13 ILE 36 2HD1 ILE 36 11.776 -5.808 2.479 266 H ASN 37 H ASN 37 12.828 -4.352 0.002 267 HA ASN 37 HA ASN 37 11.357 -5.790 -1.989 268 HB2 ASN 37 2HB ASN 37 13.522 -7.240 -1.974 269 HB3 ASN 37 1HB ASN 37 13.597 -5.581 -2.553 270 HD21 ASN 37 1HD2 ASN 37 14.583 -4.014 -1.266 271 HD22 ASN 37 2HD2 ASN 37 15.650 -4.432 0.028 272 H ASP 38 H ASP 38 13.257 -7.464 0.520 273 HA ASP 38 HA ASP 38 11.008 -8.745 1.712 274 HB2 ASP 38 2HB ASP 38 10.904 -10.025 -0.323 275 HB3 ASP 38 1HB ASP 38 12.639 -10.323 -0.291 276 H LEU 39 H LEU 39 11.679 -8.801 3.760 277 HA LEU 39 HA LEU 39 14.395 -9.818 4.344 278 HB2 LEU 39 2HB LEU 39 12.574 -7.991 5.914 279 HB3 LEU 39 1HB LEU 39 13.911 -8.826 6.674 280 HG LEU 39 HG LEU 39 14.583 -6.573 6.176 281 HD11 LEU 39 1HD1 LEU 39 15.875 -8.490 4.235 282 HD12 LEU 39 2HD1 LEU 39 16.293 -8.292 5.938 283 HD13 LEU 39 3HD1 LEU 39 16.564 -6.969 4.804 284 HD21 LEU 39 3HD2 LEU 39 12.992 -6.086 4.379 285 HD22 LEU 39 1HD2 LEU 39 13.892 -7.141 3.290 286 HD23 LEU 39 2HD2 LEU 39 14.639 -5.668 3.910 287 H HIS 40 H HIS 40 13.062 -11.875 3.736 288 HA HIS 40 HA HIS 40 11.329 -12.925 5.781 289 HB2 HIS 40 2HB HIS 40 11.008 -13.519 3.416 290 HB3 HIS 40 1HB HIS 40 12.591 -14.283 3.379 291 HD1 HIS 40 HD1 HIS 40 9.092 -14.795 4.634 292 HD2 HIS 40 HD2 HIS 40 12.694 -16.863 4.479 293 HE1 HIS 40 HE1 HIS 40 8.539 -17.159 5.272 294 HE2 HIS 40 HE2 HIS 40 10.730 -18.388 5.187 295 H GLY 41 H GLY 41 12.849 -12.686 7.590 296 HA2 GLY 41 2HA GLY 41 15.122 -14.494 7.709 297 HA3 GLY 41 1HA GLY 41 14.558 -13.433 8.992 298 H GLU 42 H GLU 42 13.282 -16.214 7.160 299 HA GLU 42 HA GLU 42 12.649 -17.589 9.661 300 HB2 GLU 42 2HB GLU 42 10.694 -16.119 9.047 301 HB3 GLU 42 1HB GLU 42 10.520 -17.053 7.570 302 HG2 GLU 42 2HG GLU 42 10.406 -18.335 10.287 303 HG3 GLU 42 1HG GLU 42 8.989 -17.602 9.544 304 H GLY 43 H GLY 43 14.012 -19.260 9.181 305 HA2 GLY 43 2HA GLY 43 14.706 -21.246 8.265 306 HA3 GLY 43 1HA GLY 43 13.070 -21.400 7.655 307 HA PRO 44 HA PRO 44 15.750 -21.002 3.890 308 HB2 PRO 44 2HB PRO 44 14.902 -23.221 2.617 309 HB3 PRO 44 1HB PRO 44 16.162 -23.278 3.857 310 HG2 PRO 44 2HG PRO 44 13.255 -23.953 4.073 311 HG3 PRO 44 1HG PRO 44 14.651 -24.795 4.770 312 HD2 PRO 44 2HD PRO 44 13.034 -23.050 6.166 313 HD3 PRO 44 1HD PRO 44 14.719 -23.405 6.597 314 HA PRO 45 HA PRO 45 12.034 -19.076 2.083 315 HB2 PRO 45 2HB PRO 45 13.984 -17.735 0.328 316 HB3 PRO 45 1HB PRO 45 12.831 -17.030 1.465 317 HG2 PRO 45 2HG PRO 45 15.483 -17.009 1.940 318 HG3 PRO 45 1HG PRO 45 14.298 -17.177 3.251 319 HD2 PRO 45 2HD PRO 45 15.939 -19.301 1.897 320 HD3 PRO 45 1HD PRO 45 15.599 -19.074 3.627 321 HA PRO 46 HA PRO 46 11.573 -21.786 -1.465 322 HB2 PRO 46 2HB PRO 46 9.472 -19.832 -2.266 323 HB3 PRO 46 1HB PRO 46 9.350 -21.579 -2.020 324 HG2 PRO 46 2HG PRO 46 8.325 -19.885 -0.238 325 HG3 PRO 46 1HG PRO 46 9.141 -21.369 0.289 326 HD2 PRO 46 2HD PRO 46 10.172 -18.549 0.259 327 HD3 PRO 46 1HD PRO 46 10.361 -19.803 1.504 328 HA PRO 47 HA PRO 47 13.734 -19.881 -4.870 329 HB2 PRO 47 2HB PRO 47 11.894 -21.263 -6.751 330 HB3 PRO 47 1HB PRO 47 13.651 -21.379 -6.604 331 HG2 PRO 47 2HG PRO 47 12.055 -23.371 -5.785 332 HG3 PRO 47 1HG PRO 47 13.541 -22.957 -4.909 333 HD2 PRO 47 2HD PRO 47 10.693 -22.297 -4.236 334 HD3 PRO 47 1HD PRO 47 12.021 -22.785 -3.161 335 H VAL 48 H VAL 48 12.875 -17.757 -4.380 336 HA VAL 48 HA VAL 48 10.948 -16.822 -6.408 337 HB VAL 48 HB VAL 48 10.042 -15.188 -4.799 338 HG11 VAL 48 1HG1 VAL 48 9.866 -18.042 -3.816 339 HG12 VAL 48 2HG1 VAL 48 8.888 -17.323 -5.095 340 HG13 VAL 48 3HG1 VAL 48 8.728 -16.748 -3.437 341 HG21 VAL 48 3HG2 VAL 48 10.528 -15.394 -2.398 342 HG22 VAL 48 1HG2 VAL 48 11.974 -14.975 -3.318 343 HG23 VAL 48 2HG2 VAL 48 11.738 -16.627 -2.749 344 HA PRO 49 HA PRO 49 14.159 -13.878 -7.402 345 HB2 PRO 49 2HB PRO 49 12.639 -11.978 -8.654 346 HB3 PRO 49 1HB PRO 49 13.091 -13.513 -9.407 347 HG2 PRO 49 2HG PRO 49 10.525 -12.752 -8.053 348 HG3 PRO 49 1HG PRO 49 10.767 -13.645 -9.569 349 HD2 PRO 49 2HD PRO 49 10.186 -14.891 -7.242 350 HD3 PRO 49 1HD PRO 49 11.237 -15.629 -8.470 351 HA PRO 50 HA PRO 50 14.141 -11.050 -3.941 352 HB2 PRO 50 2HB PRO 50 16.036 -9.268 -4.875 353 HB3 PRO 50 1HB PRO 50 16.406 -10.817 -4.114 354 HG2 PRO 50 2HG PRO 50 16.288 -10.118 -7.023 355 HG3 PRO 50 1HG PRO 50 17.466 -11.125 -6.156 356 HD2 PRO 50 2HD PRO 50 15.494 -12.220 -7.619 357 HD3 PRO 50 1HD PRO 50 16.046 -12.964 -6.104 358 H ALA 51 H ALA 51 13.497 -9.947 -7.209 359 HA ALA 51 HA ALA 51 12.615 -7.317 -6.494 360 HB1 ALA 51 3HB ALA 51 13.285 -7.885 -8.794 361 HB2 ALA 51 1HB ALA 51 11.644 -7.239 -8.738 362 HB3 ALA 51 2HB ALA 51 11.904 -8.974 -8.925 363 H GLN 52 H GLN 52 11.230 -7.601 -4.704 364 HA GLN 52 HA GLN 52 8.513 -8.486 -5.298 365 HB2 GLN 52 2HB GLN 52 9.802 -10.519 -4.571 366 HB3 GLN 52 1HB GLN 52 10.107 -9.726 -3.034 367 HG2 GLN 52 2HG GLN 52 7.698 -9.680 -2.582 368 HG3 GLN 52 1HG GLN 52 7.396 -10.485 -4.121 369 HE21 GLN 52 1HE2 GLN 52 6.759 -11.355 -1.414 370 HE22 GLN 52 2HE2 GLN 52 7.541 -12.877 -1.201 371 H HIS 53 H HIS 53 7.092 -8.175 -3.258 372 HA HIS 53 HA HIS 53 8.075 -5.961 -1.574 373 HB2 HIS 53 2HB HIS 53 5.326 -6.316 -2.788 374 HB3 HIS 53 1HB HIS 53 5.668 -5.177 -1.490 375 HD1 HIS 53 HD1 HIS 53 6.599 -5.838 -5.098 376 HD2 HIS 53 HD2 HIS 53 6.670 -2.758 -2.319 377 HE1 HIS 53 HE1 HIS 53 7.244 -3.792 -6.388 378 HE2 HIS 53 HE2 HIS 53 7.010 -1.911 -4.741 379 HA PRO 54 HA PRO 54 7.151 -8.487 1.918 380 HB2 PRO 54 2HB PRO 54 6.563 -6.633 3.822 381 HB3 PRO 54 1HB PRO 54 8.197 -6.872 3.189 382 HG2 PRO 54 2HG PRO 54 6.153 -4.813 2.412 383 HG3 PRO 54 1HG PRO 54 7.883 -4.598 2.747 384 HD2 PRO 54 2HD PRO 54 6.935 -4.752 0.228 385 HD3 PRO 54 1HD PRO 54 8.517 -5.421 0.676 386 H ASN 55 H ASN 55 4.682 -6.252 0.855 387 HA ASN 55 HA ASN 55 2.443 -6.063 1.190 388 HB2 ASN 55 2HB ASN 55 2.697 -9.074 1.395 389 HB3 ASN 55 1HB ASN 55 1.179 -8.208 1.160 390 HD21 ASN 55 1HD2 ASN 55 0.829 -9.201 -0.846 391 HD22 ASN 55 2HD2 ASN 55 1.737 -8.768 -2.248 392 HA PRO 56 HA PRO 56 2.913 -6.377 5.856 393 HB2 PRO 56 2HB PRO 56 2.951 -3.736 6.386 394 HB3 PRO 56 1HB PRO 56 4.403 -4.607 5.874 395 HG2 PRO 56 2HG PRO 56 2.533 -2.923 4.232 396 HG3 PRO 56 1HG PRO 56 4.306 -2.913 4.259 397 HD2 PRO 56 2HD PRO 56 2.877 -4.222 2.354 398 HD3 PRO 56 1HD PRO 56 4.462 -4.790 2.919 399 H CYS 57 H CYS 57 0.626 -5.094 3.665 400 HA CYS 57 HA CYS 57 -1.106 -3.867 5.643 401 HB2 CYS 57 2HB CYS 57 -1.751 -4.369 2.726 402 HB3 CYS 57 1HB CYS 57 -2.426 -3.137 3.786 403 HA PRO 58 HA PRO 58 -3.842 -7.114 6.833 404 HB2 PRO 58 2HB PRO 58 -6.017 -5.458 5.583 405 HB3 PRO 58 1HB PRO 58 -5.981 -6.253 7.163 406 HG2 PRO 58 2HG PRO 58 -5.539 -3.642 6.981 407 HG3 PRO 58 1HG PRO 58 -4.582 -4.639 8.094 408 HD2 PRO 58 2HD PRO 58 -3.804 -3.433 5.480 409 HD3 PRO 58 1HD PRO 58 -2.811 -3.755 6.915 410 HA PRO 59 HA PRO 59 -4.245 -10.001 3.475 411 HB2 PRO 59 2HB PRO 59 -6.772 -10.774 4.904 412 HB3 PRO 59 1HB PRO 59 -5.475 -11.804 4.283 413 HG2 PRO 59 2HG PRO 59 -5.624 -11.270 6.881 414 HG3 PRO 59 1HG PRO 59 -4.052 -11.305 6.060 415 HD2 PRO 59 2HD PRO 59 -5.650 -8.963 6.997 416 HD3 PRO 59 1HD PRO 59 -3.889 -9.171 6.926 417 H GLY 60 H GLY 60 -5.007 -9.712 1.471 418 HA2 GLY 60 2HA GLY 60 -6.677 -9.417 -0.171 419 HA3 GLY 60 1HA GLY 60 -7.740 -8.736 1.049 420 H TYR 61 H TYR 61 -4.773 -7.312 1.454 421 HA TYR 61 HA TYR 61 -5.234 -5.224 -0.571 422 HB2 TYR 61 2HB TYR 61 -4.749 -4.770 2.382 423 HB3 TYR 61 1HB TYR 61 -4.600 -3.504 1.166 424 HD1 TYR 61 HD1 TYR 61 -6.607 -2.754 -0.095 425 HD2 TYR 61 HD2 TYR 61 -6.912 -5.503 3.152 426 HE1 TYR 61 HE1 TYR 61 -9.026 -2.339 0.027 427 HE2 TYR 61 HE2 TYR 61 -9.332 -5.084 3.278 428 HH TYR 61 HH TYR 61 -10.948 -3.373 2.647 429 H GLU 62 H GLU 62 -3.493 -4.978 -1.788 430 HA GLU 62 HA GLU 62 -0.874 -5.850 -0.765 431 HB2 GLU 62 2HB GLU 62 -0.252 -6.134 -3.121 432 HB3 GLU 62 1HB GLU 62 -1.727 -7.019 -2.752 433 HG2 GLU 62 2HG GLU 62 -3.000 -5.050 -3.705 434 HG3 GLU 62 1HG GLU 62 -1.452 -4.441 -4.281 435 HA PRO 63 HA PRO 63 0.753 -1.750 -0.856 436 HB2 PRO 63 2HB PRO 63 3.344 -2.608 -1.899 437 HB3 PRO 63 1HB PRO 63 2.916 -2.096 -0.267 438 HG2 PRO 63 2HG PRO 63 3.573 -4.659 -0.879 439 HG3 PRO 63 1HG PRO 63 2.449 -4.236 0.426 440 HD2 PRO 63 2HD PRO 63 1.844 -5.182 -2.360 441 HD3 PRO 63 1HD PRO 63 1.093 -5.660 -0.820 442 H ASP 64 H ASP 64 0.622 -0.056 -2.192 443 HA ASP 64 HA ASP 64 1.119 -0.406 -5.075 444 HB2 ASP 64 2HB ASP 64 -1.068 0.544 -4.400 445 HB3 ASP 64 1HB ASP 64 -0.240 1.851 -3.565 446 H ASP 65 H ASP 65 2.859 0.645 -6.058 447 HA ASP 65 HA ASP 65 4.802 1.855 -4.283 448 HB2 ASP 65 2HB ASP 65 4.869 1.206 -7.235 449 HB3 ASP 65 1HB ASP 65 6.190 2.029 -6.408 450 H GLN 66 H GLN 66 4.643 3.888 -3.719 451 HA GLN 66 HA GLN 66 3.238 5.799 -5.424 452 HB2 GLN 66 2HB GLN 66 3.332 7.259 -3.371 453 HB3 GLN 66 1HB GLN 66 2.460 5.746 -3.167 454 HG2 GLN 66 2HG GLN 66 4.529 4.784 -2.138 455 HG3 GLN 66 1HG GLN 66 5.240 6.391 -2.203 456 HE21 GLN 66 1HE2 GLN 66 2.718 7.730 -1.557 457 HE22 GLN 66 2HE2 GLN 66 2.458 7.444 0.127 458 H ASP 67 H ASP 67 4.673 6.454 -6.998 459 HA ASP 67 HA ASP 67 7.323 7.384 -6.409 460 HB2 ASP 67 2HB ASP 67 5.568 7.803 -8.848 461 HB3 ASP 67 1HB ASP 67 7.270 8.245 -8.747 462 H SER 68 H SER 68 6.295 8.709 -4.536 463 HA SER 68 HA SER 68 4.961 11.150 -5.201 464 HB2 SER 68 2HB SER 68 6.384 10.420 -2.623 465 HB3 SER 68 1HB SER 68 5.231 11.734 -2.841 466 HG SER 68 HG SER 68 4.616 9.410 -2.038 467 H CYS 69 H CYS 69 6.379 12.037 -6.804 468 HA CYS 69 HA CYS 69 9.051 12.851 -6.131 469 HB2 CYS 69 2HB CYS 69 8.943 14.107 -8.286 470 HB3 CYS 69 1HB CYS 69 8.519 12.407 -8.445 471 H VAL 70 H VAL 70 5.925 14.213 -5.659 472 HA VAL 70 HA VAL 70 6.981 16.895 -5.147 473 HB VAL 70 HB VAL 70 4.127 15.890 -4.953 474 HG11 VAL 70 1HG1 VAL 70 4.522 17.869 -3.576 475 HG12 VAL 70 2HG1 VAL 70 3.508 18.264 -4.964 476 HG13 VAL 70 3HG1 VAL 70 5.214 18.711 -4.962 477 HG21 VAL 70 3HG2 VAL 70 3.780 17.037 -7.106 478 HG22 VAL 70 1HG2 VAL 70 4.950 15.721 -7.239 479 HG23 VAL 70 2HG2 VAL 70 5.506 17.395 -7.185 480 H ASP 71 H ASP 71 7.402 17.664 -3.155 481 HA ASP 71 HA ASP 71 6.622 16.040 -0.814 482 HB2 ASP 71 2HB ASP 71 9.035 16.235 -1.069 483 HB3 ASP 71 1HB ASP 71 8.916 17.990 -1.163 Start of MODEL 6 1 H1 SER 1 1H SER 1 -4.540 6.641 -19.948 2 H2 SER 1 2H SER 1 -4.802 6.929 -21.591 3 H3 SER 1 3H SER 1 -3.384 6.162 -21.088 4 HA SER 1 HA SER 1 -6.138 5.088 -20.879 5 HB2 SER 1 2HB SER 1 -5.217 3.357 -22.493 6 HB3 SER 1 1HB SER 1 -5.405 4.981 -23.156 7 HG SER 1 HG SER 1 -3.216 3.522 -23.106 8 H ASP 2 H ASP 2 -6.036 4.480 -18.730 9 HA ASP 2 HA ASP 2 -5.644 3.147 -16.943 10 HB2 ASP 2 2HB ASP 2 -4.519 1.345 -19.096 11 HB3 ASP 2 1HB ASP 2 -4.779 0.833 -17.427 12 H VAL 3 H VAL 3 -3.456 5.005 -17.995 13 HA VAL 3 HA VAL 3 -1.442 4.202 -16.042 14 HB VAL 3 HB VAL 3 -0.621 3.266 -18.183 15 HG11 VAL 3 1HG1 VAL 3 -1.703 4.848 -19.705 16 HG12 VAL 3 2HG1 VAL 3 0.027 4.725 -20.028 17 HG13 VAL 3 3HG1 VAL 3 -0.614 6.125 -19.163 18 HG21 VAL 3 3HG2 VAL 3 1.004 4.000 -16.519 19 HG22 VAL 3 1HG2 VAL 3 0.987 5.630 -17.193 20 HG23 VAL 3 2HG2 VAL 3 1.617 4.286 -18.147 21 H ASN 4 H ASN 4 -0.168 5.990 -15.282 22 HA ASN 4 HA ASN 4 -0.945 8.666 -16.227 23 HB2 ASN 4 2HB ASN 4 -1.066 7.776 -13.333 24 HB3 ASN 4 1HB ASN 4 -1.219 9.443 -13.875 25 HD21 ASN 4 1HD2 ASN 4 -3.081 10.063 -15.003 26 HD22 ASN 4 2HD2 ASN 4 -4.525 9.117 -14.953 27 H GLU 5 H GLU 5 0.431 10.389 -15.086 28 HA GLU 5 HA GLU 5 3.161 9.370 -14.600 29 HB2 GLU 5 2HB GLU 5 2.398 11.960 -15.965 30 HB3 GLU 5 1HB GLU 5 4.036 11.406 -15.650 31 HG2 GLU 5 2HG GLU 5 3.543 9.411 -17.093 32 HG3 GLU 5 1HG GLU 5 2.019 10.186 -17.525 33 H CYS 6 H CYS 6 4.448 11.584 -13.751 34 HA CYS 6 HA CYS 6 3.592 11.657 -11.033 35 HB2 CYS 6 2HB CYS 6 5.861 12.938 -12.522 36 HB3 CYS 6 1HB CYS 6 5.560 13.313 -10.827 37 H LEU 7 H LEU 7 2.276 13.388 -13.470 38 HA LEU 7 HA LEU 7 1.829 15.789 -11.838 39 HB2 LEU 7 2HB LEU 7 0.964 16.864 -13.726 40 HB3 LEU 7 1HB LEU 7 2.302 15.918 -14.346 41 HG LEU 7 HG LEU 7 -0.614 15.124 -14.562 42 HD11 LEU 7 1HD1 LEU 7 -0.130 17.126 -15.876 43 HD12 LEU 7 2HD1 LEU 7 -0.438 15.732 -16.911 44 HD13 LEU 7 3HD1 LEU 7 1.214 16.293 -16.660 45 HD21 LEU 7 3HD2 LEU 7 0.220 13.486 -16.216 46 HD22 LEU 7 1HD2 LEU 7 0.815 13.181 -14.586 47 HD23 LEU 7 2HD2 LEU 7 1.874 13.928 -15.783 48 H THR 8 H THR 8 0.712 12.913 -11.515 49 HA THR 8 HA THR 8 -2.109 13.082 -11.904 50 HB THR 8 HB THR 8 -0.947 10.918 -11.838 51 HG1 THR 8 HG1 THR 8 -2.450 9.923 -10.242 52 HG21 THR 8 3HG2 THR 8 -0.196 9.960 -9.706 53 HG22 THR 8 1HG2 THR 8 -0.575 11.473 -8.885 54 HG23 THR 8 2HG2 THR 8 0.708 11.422 -10.095 55 H ILE 9 H ILE 9 -3.518 12.426 -9.888 56 HA ILE 9 HA ILE 9 -3.418 14.669 -8.037 57 HB ILE 9 HB ILE 9 -5.470 12.459 -8.394 58 HG12 ILE 9 2HG1 ILE 9 -5.312 13.891 -10.362 59 HG13 ILE 9 1HG1 ILE 9 -6.821 14.204 -9.515 60 HG21 ILE 9 1HG2 ILE 9 -5.671 14.996 -6.770 61 HG22 ILE 9 2HG2 ILE 9 -5.584 13.352 -6.135 62 HG23 ILE 9 3HG2 ILE 9 -6.989 13.862 -7.070 63 HD11 ILE 9 3HD1 ILE 9 -4.337 15.904 -9.390 64 HD12 ILE 9 1HD1 ILE 9 -5.854 16.226 -8.544 65 HD13 ILE 9 2HD1 ILE 9 -5.801 16.260 -10.308 66 HA PRO 10 HA PRO 10 -1.494 12.449 -4.641 67 HB2 PRO 10 2HB PRO 10 -3.417 13.968 -2.933 68 HB3 PRO 10 1HB PRO 10 -1.659 13.834 -2.808 69 HG2 PRO 10 2HG PRO 10 -2.773 16.055 -3.760 70 HG3 PRO 10 1HG PRO 10 -1.285 15.406 -4.480 71 HD2 PRO 10 2HD PRO 10 -4.105 15.263 -5.494 72 HD3 PRO 10 1HD PRO 10 -2.592 15.505 -6.394 73 H GLU 11 H GLU 11 -2.581 10.459 -5.406 74 HA GLU 11 HA GLU 11 -5.065 9.614 -4.253 75 HB2 GLU 11 2HB GLU 11 -2.866 7.891 -5.416 76 HB3 GLU 11 1HB GLU 11 -4.550 7.437 -5.190 77 HG2 GLU 11 2HG GLU 11 -5.230 9.069 -6.864 78 HG3 GLU 11 1HG GLU 11 -3.551 9.571 -7.071 79 H ALA 12 H ALA 12 -1.678 9.269 -3.408 80 HA ALA 12 HA ALA 12 -2.233 7.355 -1.285 81 HB1 ALA 12 3HB ALA 12 -0.273 7.018 -2.704 82 HB2 ALA 12 1HB ALA 12 0.191 7.247 -1.017 83 HB3 ALA 12 2HB ALA 12 0.386 8.566 -2.175 84 H CYS 13 H CYS 13 -0.975 7.728 0.808 85 HA CYS 13 HA CYS 13 -1.721 10.366 1.855 86 HB2 CYS 13 2HB CYS 13 -1.112 7.730 3.212 87 HB3 CYS 13 1HB CYS 13 -1.387 9.224 4.092 88 H LYS 14 H LYS 14 -0.252 11.763 2.765 89 HA LYS 14 HA LYS 14 2.443 11.550 1.849 90 HB2 LYS 14 2HB LYS 14 1.145 13.677 1.991 91 HB3 LYS 14 1HB LYS 14 1.239 13.585 3.745 92 HG2 LYS 14 2HG LYS 14 3.643 13.834 3.673 93 HG3 LYS 14 1HG LYS 14 3.628 13.774 1.909 94 HD2 LYS 14 2HD LYS 14 2.228 15.826 1.890 95 HD3 LYS 14 1HD LYS 14 2.363 15.903 3.645 96 HE2 LYS 14 2HE LYS 14 4.769 16.198 3.479 97 HE3 LYS 14 1HE LYS 14 4.696 16.012 1.726 98 HZ1 LYS 14 3HZ LYS 14 3.301 18.009 1.635 99 HZ2 LYS 14 1HZ LYS 14 4.822 18.335 2.304 100 HZ3 LYS 14 2HZ LYS 14 3.467 18.205 3.306 101 H GLY 15 H GLY 15 4.102 10.555 2.825 102 HA2 GLY 15 2HA GLY 15 5.539 9.907 4.538 103 HA3 GLY 15 1HA GLY 15 4.460 10.656 5.701 104 H GLU 16 H GLU 16 2.690 8.636 3.717 105 HA GLU 16 HA GLU 16 2.972 6.309 5.505 106 HB2 GLU 16 2HB GLU 16 0.336 7.572 4.706 107 HB3 GLU 16 1HB GLU 16 0.529 6.103 5.658 108 HG2 GLU 16 2HG GLU 16 1.703 7.438 7.391 109 HG3 GLU 16 1HG GLU 16 1.362 8.891 6.451 110 H MET 17 H MET 17 1.843 4.338 4.627 111 HA MET 17 HA MET 17 2.530 4.111 1.795 112 HB2 MET 17 2HB MET 17 1.751 1.954 3.768 113 HB3 MET 17 1HB MET 17 2.369 1.693 2.143 114 HG2 MET 17 2HG MET 17 4.476 2.835 2.840 115 HG3 MET 17 1HG MET 17 3.845 2.872 4.487 116 HE1 MET 17 3HE MET 17 2.190 0.010 4.222 117 HE2 MET 17 1HE MET 17 2.992 0.538 5.702 118 HE3 MET 17 2HE MET 17 3.339 -1.057 5.032 119 H LYS 18 H LYS 18 1.168 3.382 0.200 120 HA LYS 18 HA LYS 18 -1.717 3.643 0.728 121 HB2 LYS 18 2HB LYS 18 -0.955 5.194 -0.910 122 HB3 LYS 18 1HB LYS 18 -0.031 3.961 -1.760 123 HG2 LYS 18 2HG LYS 18 -2.207 2.859 -2.358 124 HG3 LYS 18 1HG LYS 18 -3.033 4.259 -1.670 125 HD2 LYS 18 2HD LYS 18 -2.015 5.729 -3.289 126 HD3 LYS 18 1HD LYS 18 -0.982 4.429 -3.885 127 HE2 LYS 18 2HE LYS 18 -3.134 3.215 -4.514 128 HE3 LYS 18 1HE LYS 18 -3.964 4.742 -4.213 129 HZ1 LYS 18 3HZ LYS 18 -2.732 5.784 -5.941 130 HZ2 LYS 18 1HZ LYS 18 -3.312 4.330 -6.574 131 HZ3 LYS 18 2HZ LYS 18 -1.693 4.461 -6.105 132 H CYS 19 H CYS 19 -2.727 1.756 1.037 133 HA CYS 19 HA CYS 19 -1.874 -0.645 -0.455 134 HB2 CYS 19 2HB CYS 19 -3.597 -0.422 2.031 135 HB3 CYS 19 1HB CYS 19 -3.132 -1.927 1.246 136 H ILE 20 H ILE 20 -3.052 -1.065 -2.233 137 HA ILE 20 HA ILE 20 -5.976 -0.672 -2.120 138 HB ILE 20 HB ILE 20 -6.005 0.048 -4.467 139 HG12 ILE 20 2HG1 ILE 20 -2.982 0.178 -4.243 140 HG13 ILE 20 1HG1 ILE 20 -3.872 -1.048 -5.141 141 HG21 ILE 20 1HG2 ILE 20 -6.000 1.736 -2.698 142 HG22 ILE 20 2HG2 ILE 20 -5.172 2.322 -4.138 143 HG23 ILE 20 3HG2 ILE 20 -4.237 1.787 -2.742 144 HD11 ILE 20 3HD1 ILE 20 -4.756 0.673 -6.620 145 HD12 ILE 20 1HD1 ILE 20 -2.993 0.665 -6.612 146 HD13 ILE 20 2HD1 ILE 20 -3.873 1.905 -5.717 147 H ASN 21 H ASN 21 -7.167 -1.967 -3.744 148 HA ASN 21 HA ASN 21 -5.651 -4.309 -4.708 149 HB2 ASN 21 2HB ASN 21 -7.603 -5.746 -4.174 150 HB3 ASN 21 1HB ASN 21 -6.855 -5.041 -2.745 151 HD21 ASN 21 1HD2 ASN 21 -8.717 -5.303 -1.528 152 HD22 ASN 21 2HD2 ASN 21 -10.118 -4.315 -1.756 153 H HIS 22 H HIS 22 -6.870 -5.553 -6.417 154 HA HIS 22 HA HIS 22 -7.592 -3.840 -8.549 155 HB2 HIS 22 2HB HIS 22 -7.837 -6.823 -8.172 156 HB3 HIS 22 1HB HIS 22 -8.333 -6.021 -9.656 157 HD1 HIS 22 HD1 HIS 22 -5.296 -6.993 -7.702 158 HD2 HIS 22 HD2 HIS 22 -6.236 -5.121 -11.290 159 HE1 HIS 22 HE1 HIS 22 -3.144 -6.881 -8.985 160 HE2 HIS 22 HE2 HIS 22 -3.706 -5.603 -11.073 161 H TYR 23 H TYR 23 -9.436 -4.804 -5.910 162 HA TYR 23 HA TYR 23 -12.001 -4.790 -7.270 163 HB2 TYR 23 2HB TYR 23 -11.243 -5.091 -4.354 164 HB3 TYR 23 1HB TYR 23 -12.908 -5.082 -4.929 165 HD1 TYR 23 HD1 TYR 23 -9.744 -6.761 -6.058 166 HD2 TYR 23 HD2 TYR 23 -13.829 -7.214 -4.941 167 HE1 TYR 23 HE1 TYR 23 -9.600 -9.164 -6.522 168 HE2 TYR 23 HE2 TYR 23 -13.689 -9.626 -5.401 169 HH TYR 23 HH TYR 23 -10.668 -11.212 -6.011 170 H GLY 24 H GLY 24 -9.907 -2.485 -5.827 171 HA2 GLY 24 2HA GLY 24 -10.333 -0.167 -6.402 172 HA3 GLY 24 1HA GLY 24 -12.039 -0.451 -6.121 173 H GLY 25 H GLY 25 -10.463 -1.961 -3.637 174 HA2 GLY 25 2HA GLY 25 -11.255 0.001 -1.714 175 HA3 GLY 25 1HA GLY 25 -10.398 -1.494 -1.381 176 H TYR 26 H TYR 26 -10.053 1.361 -0.428 177 HA TYR 26 HA TYR 26 -7.171 1.628 -1.011 178 HB2 TYR 26 2HB TYR 26 -8.187 3.347 -2.309 179 HB3 TYR 26 1HB TYR 26 -9.272 3.800 -0.999 180 HD1 TYR 26 HD2 TYR 26 -5.734 3.893 -2.127 181 HD2 TYR 26 HD1 TYR 26 -8.608 5.398 0.638 182 HE1 TYR 26 HE2 TYR 26 -4.146 5.628 -1.418 183 HE2 TYR 26 HE1 TYR 26 -7.022 7.133 1.349 184 HH TYR 26 HH TYR 26 -4.577 7.501 1.367 185 H LEU 27 H LEU 27 -5.946 1.601 0.763 186 HA LEU 27 HA LEU 27 -6.940 2.782 3.275 187 HB2 LEU 27 2HB LEU 27 -5.553 0.103 3.019 188 HB3 LEU 27 1HB LEU 27 -5.864 0.917 4.539 189 HG LEU 27 HG LEU 27 -8.003 -0.068 2.632 190 HD11 LEU 27 1HD1 LEU 27 -6.789 -1.917 3.668 191 HD12 LEU 27 2HD1 LEU 27 -8.427 -1.799 4.303 192 HD13 LEU 27 3HD1 LEU 27 -7.066 -1.220 5.265 193 HD21 LEU 27 3HD2 LEU 27 -8.212 1.093 5.418 194 HD22 LEU 27 1HD2 LEU 27 -9.545 0.409 4.486 195 HD23 LEU 27 2HD2 LEU 27 -8.734 1.869 3.922 196 H CYS 28 H CYS 28 -5.284 3.594 4.686 197 HA CYS 28 HA CYS 28 -2.591 3.771 3.468 198 HB2 CYS 28 2HB CYS 28 -4.123 5.868 5.006 199 HB3 CYS 28 1HB CYS 28 -2.380 5.958 4.776 200 H LEU 29 H LEU 29 -1.131 2.650 4.546 201 HA LEU 29 HA LEU 29 -1.518 2.159 7.428 202 HB2 LEU 29 2HB LEU 29 0.172 0.694 5.392 203 HB3 LEU 29 1HB LEU 29 0.084 0.287 7.095 204 HG LEU 29 HG LEU 29 -2.199 0.133 5.116 205 HD11 LEU 29 1HD1 LEU 29 -0.646 -2.035 6.530 206 HD12 LEU 29 2HD1 LEU 29 -0.554 -1.641 4.812 207 HD13 LEU 29 3HD1 LEU 29 -2.050 -2.281 5.493 208 HD21 LEU 29 3HD2 LEU 29 -3.478 -0.873 6.947 209 HD22 LEU 29 1HD2 LEU 29 -2.999 0.779 7.334 210 HD23 LEU 29 2HD2 LEU 29 -2.136 -0.580 8.054 211 HA PRO 30 HA PRO 30 1.940 4.544 8.826 212 HB2 PRO 30 2HB PRO 30 2.975 2.084 10.173 213 HB3 PRO 30 1HB PRO 30 2.634 3.680 10.851 214 HG2 PRO 30 2HG PRO 30 0.975 1.650 11.305 215 HG3 PRO 30 1HG PRO 30 0.339 3.278 10.987 216 HD2 PRO 30 2HD PRO 30 0.491 0.907 9.159 217 HD3 PRO 30 1HD PRO 30 -0.805 2.108 9.343 218 H ARG 31 H ARG 31 4.167 4.926 8.532 219 HA ARG 31 HA ARG 31 5.328 3.591 6.241 220 HB2 ARG 31 2HB ARG 31 5.354 6.071 6.571 221 HB3 ARG 31 1HB ARG 31 6.451 5.848 7.925 222 HG2 ARG 31 2HG ARG 31 8.109 4.855 6.390 223 HG3 ARG 31 1HG ARG 31 7.010 5.145 5.041 224 HD2 ARG 31 2HD ARG 31 7.135 7.533 5.402 225 HD3 ARG 31 1HD ARG 31 8.104 7.296 6.856 226 HE ARG 31 HE ARG 31 9.483 6.082 4.793 227 HH11 ARG 31 1HH1 ARG 31 8.417 9.268 5.540 228 HH12 ARG 31 2HH1 ARG 31 9.747 10.015 4.729 229 HH21 ARG 31 1HH2 ARG 31 11.188 7.058 3.785 230 HH22 ARG 31 2HH2 ARG 31 11.284 8.784 3.737 231 H SER 32 H SER 32 5.218 2.449 9.179 232 HA SER 32 HA SER 32 7.908 2.165 10.050 233 HB2 SER 32 2HB SER 32 7.016 0.417 11.563 234 HB3 SER 32 1HB SER 32 6.030 1.877 11.593 235 HG SER 32 HG SER 32 5.073 -0.425 11.294 236 H ALA 33 H ALA 33 6.332 0.733 7.429 237 HA ALA 33 HA ALA 33 7.788 -1.788 7.539 238 HB1 ALA 33 3HB ALA 33 6.560 -2.365 5.515 239 HB2 ALA 33 1HB ALA 33 5.913 -0.727 5.423 240 HB3 ALA 33 2HB ALA 33 5.466 -1.778 6.767 241 H ALA 34 H ALA 34 9.221 -2.509 5.874 242 HA ALA 34 HA ALA 34 10.593 -0.334 4.411 243 HB1 ALA 34 3HB ALA 34 11.719 -2.961 5.393 244 HB2 ALA 34 1HB ALA 34 12.000 -1.376 6.111 245 HB3 ALA 34 2HB ALA 34 12.611 -1.731 4.495 246 H VAL 35 H VAL 35 11.461 -0.879 2.279 247 HA VAL 35 HA VAL 35 9.438 -2.341 0.788 248 HB VAL 35 HB VAL 35 10.438 -1.307 -1.212 249 HG11 VAL 35 1HG1 VAL 35 9.979 0.649 1.049 250 HG12 VAL 35 2HG1 VAL 35 8.733 -0.073 0.031 251 HG13 VAL 35 3HG1 VAL 35 9.914 1.033 -0.671 252 HG21 VAL 35 3HG2 VAL 35 12.439 -0.122 0.724 253 HG22 VAL 35 1HG2 VAL 35 12.269 0.338 -0.972 254 HG23 VAL 35 2HG2 VAL 35 12.781 -1.295 -0.548 255 H ILE 36 H ILE 36 11.897 -3.641 2.268 256 HA ILE 36 HA ILE 36 13.379 -4.882 0.145 257 HB ILE 36 HB ILE 36 14.547 -6.139 1.775 258 HG12 ILE 36 2HG1 ILE 36 12.556 -6.987 3.032 259 HG13 ILE 36 1HG1 ILE 36 13.862 -6.453 4.080 260 HG21 ILE 36 1HG2 ILE 36 15.245 -4.435 3.402 261 HG22 ILE 36 2HG2 ILE 36 13.834 -3.465 2.981 262 HG23 ILE 36 3HG2 ILE 36 15.083 -3.772 1.775 263 HD11 ILE 36 3HD1 ILE 36 11.373 -4.885 3.452 264 HD12 ILE 36 1HD1 ILE 36 12.672 -4.386 4.534 265 HD13 ILE 36 2HD1 ILE 36 11.685 -5.792 4.931 266 H ASN 37 H ASN 37 13.487 -7.251 -0.188 267 HA ASN 37 HA ASN 37 10.790 -8.361 -0.322 268 HB2 ASN 37 2HB ASN 37 12.005 -8.479 -2.378 269 HB3 ASN 37 1HB ASN 37 13.391 -9.224 -1.587 270 HD21 ASN 37 1HD2 ASN 37 9.983 -9.757 -2.366 271 HD22 ASN 37 2HD2 ASN 37 10.103 -11.471 -2.461 272 H ASP 38 H ASP 38 10.041 -9.831 0.977 273 HA ASP 38 HA ASP 38 9.779 -11.419 2.536 274 HB2 ASP 38 2HB ASP 38 11.164 -12.694 0.795 275 HB3 ASP 38 1HB ASP 38 12.523 -12.489 1.902 276 H LEU 39 H LEU 39 9.715 -10.925 4.566 277 HA LEU 39 HA LEU 39 12.183 -10.618 6.099 278 HB2 LEU 39 2HB LEU 39 10.890 -8.768 7.421 279 HB3 LEU 39 1HB LEU 39 11.757 -8.366 5.959 280 HG LEU 39 HG LEU 39 9.537 -7.245 6.209 281 HD11 LEU 39 1HD1 LEU 39 9.791 -9.010 3.772 282 HD12 LEU 39 2HD1 LEU 39 10.609 -7.470 4.025 283 HD13 LEU 39 3HD1 LEU 39 8.855 -7.522 3.899 284 HD21 LEU 39 3HD2 LEU 39 8.288 -9.084 7.222 285 HD22 LEU 39 1HD2 LEU 39 8.407 -10.003 5.720 286 HD23 LEU 39 2HD2 LEU 39 7.493 -8.494 5.762 287 H HIS 40 H HIS 40 10.326 -12.812 5.803 288 HA HIS 40 HA HIS 40 8.417 -13.023 7.846 289 HB2 HIS 40 2HB HIS 40 10.058 -15.168 6.478 290 HB3 HIS 40 1HB HIS 40 8.723 -15.514 7.570 291 HD1 HIS 40 HD1 HIS 40 9.488 -14.733 4.072 292 HD2 HIS 40 HD2 HIS 40 6.148 -14.609 6.554 293 HE1 HIS 40 HE1 HIS 40 7.510 -14.569 2.538 294 HE2 HIS 40 HE2 HIS 40 5.503 -14.636 4.047 295 H GLY 41 H GLY 41 8.758 -12.792 9.974 296 HA2 GLY 41 2HA GLY 41 11.307 -13.257 11.216 297 HA3 GLY 41 1HA GLY 41 9.811 -12.826 12.030 298 H GLU 42 H GLU 42 8.995 -15.427 10.240 299 HA GLU 42 HA GLU 42 8.923 -17.206 12.462 300 HB2 GLU 42 2HB GLU 42 8.401 -17.830 9.543 301 HB3 GLU 42 1HB GLU 42 7.951 -18.834 10.912 302 HG2 GLU 42 2HG GLU 42 5.957 -17.812 10.426 303 HG3 GLU 42 1HG GLU 42 6.592 -16.741 11.669 304 H GLY 43 H GLY 43 10.661 -17.451 9.325 305 HA2 GLY 43 2HA GLY 43 13.028 -18.494 10.475 306 HA3 GLY 43 1HA GLY 43 12.033 -19.820 9.897 307 HA PRO 44 HA PRO 44 14.774 -18.918 6.361 308 HB2 PRO 44 2HB PRO 44 13.651 -21.470 5.360 309 HB3 PRO 44 1HB PRO 44 15.335 -21.006 5.617 310 HG2 PRO 44 2HG PRO 44 14.121 -22.746 7.246 311 HG3 PRO 44 1HG PRO 44 15.285 -21.561 7.875 312 HD2 PRO 44 2HD PRO 44 12.280 -21.495 7.942 313 HD3 PRO 44 1HD PRO 44 13.444 -21.084 9.223 314 HA PRO 45 HA PRO 45 11.627 -17.051 3.747 315 HB2 PRO 45 2HB PRO 45 13.905 -16.700 1.872 316 HB3 PRO 45 1HB PRO 45 12.819 -15.491 2.564 317 HG2 PRO 45 2HG PRO 45 15.345 -15.702 3.406 318 HG3 PRO 45 1HG PRO 45 14.030 -15.344 4.545 319 HD2 PRO 45 2HD PRO 45 15.438 -17.945 4.025 320 HD3 PRO 45 1HD PRO 45 14.949 -17.219 5.573 321 HA PRO 46 HA PRO 46 10.546 -20.471 1.019 322 HB2 PRO 46 2HB PRO 46 8.694 -19.046 -0.481 323 HB3 PRO 46 1HB PRO 46 8.354 -19.823 1.068 324 HG2 PRO 46 2HG PRO 46 9.035 -16.959 0.498 325 HG3 PRO 46 1HG PRO 46 7.801 -17.619 1.591 326 HD2 PRO 46 2HD PRO 46 10.119 -16.715 2.552 327 HD3 PRO 46 1HD PRO 46 9.373 -18.180 3.225 328 HA PRO 47 HA PRO 47 12.953 -19.741 -2.647 329 HB2 PRO 47 2HB PRO 47 12.065 -21.709 -4.259 330 HB3 PRO 47 1HB PRO 47 12.996 -22.048 -2.795 331 HG2 PRO 47 2HG PRO 47 10.024 -22.156 -3.208 332 HG3 PRO 47 1HG PRO 47 11.080 -23.334 -2.404 333 HD2 PRO 47 2HD PRO 47 9.608 -21.502 -1.034 334 HD3 PRO 47 1HD PRO 47 11.172 -22.106 -0.452 335 H VAL 48 H VAL 48 9.517 -19.373 -2.740 336 HA VAL 48 HA VAL 48 9.741 -17.841 -5.231 337 HB VAL 48 HB VAL 48 8.956 -19.948 -6.027 338 HG11 VAL 48 1HG1 VAL 48 8.142 -20.905 -3.943 339 HG12 VAL 48 2HG1 VAL 48 6.917 -21.036 -5.205 340 HG13 VAL 48 3HG1 VAL 48 6.765 -19.803 -3.953 341 HG21 VAL 48 3HG2 VAL 48 7.930 -17.980 -7.041 342 HG22 VAL 48 1HG2 VAL 48 6.628 -18.024 -5.851 343 HG23 VAL 48 2HG2 VAL 48 6.801 -19.333 -7.023 344 HA PRO 49 HA PRO 49 6.988 -15.252 -2.692 345 HB2 PRO 49 2HB PRO 49 8.254 -12.935 -3.054 346 HB3 PRO 49 1HB PRO 49 8.915 -14.156 -1.959 347 HG2 PRO 49 2HG PRO 49 9.782 -13.428 -4.728 348 HG3 PRO 49 1HG PRO 49 10.761 -13.918 -3.333 349 HD2 PRO 49 2HD PRO 49 9.913 -15.587 -5.452 350 HD3 PRO 49 1HD PRO 49 10.622 -16.117 -3.914 351 HA PRO 50 HA PRO 50 4.488 -14.026 -6.200 352 HB2 PRO 50 2HB PRO 50 2.984 -12.041 -5.038 353 HB3 PRO 50 1HB PRO 50 2.689 -13.767 -4.803 354 HG2 PRO 50 2HG PRO 50 4.170 -11.841 -3.040 355 HG3 PRO 50 1HG PRO 50 2.989 -13.089 -2.590 356 HD2 PRO 50 2HD PRO 50 5.635 -13.481 -2.299 357 HD3 PRO 50 1HD PRO 50 4.553 -14.805 -2.784 358 H ALA 51 H ALA 51 6.492 -11.731 -4.516 359 HA ALA 51 HA ALA 51 7.316 -10.424 -6.892 360 HB1 ALA 51 3HB ALA 51 6.425 -8.180 -6.483 361 HB2 ALA 51 1HB ALA 51 5.520 -8.783 -5.094 362 HB3 ALA 51 2HB ALA 51 5.114 -9.338 -6.718 363 H GLN 52 H GLN 52 8.725 -8.434 -6.324 364 HA GLN 52 HA GLN 52 10.412 -9.092 -4.077 365 HB2 GLN 52 2HB GLN 52 11.883 -7.315 -4.857 366 HB3 GLN 52 1HB GLN 52 11.404 -8.341 -6.198 367 HG2 GLN 52 2HG GLN 52 10.069 -5.706 -5.596 368 HG3 GLN 52 1HG GLN 52 11.474 -5.855 -6.647 369 HE21 GLN 52 1HE2 GLN 52 11.255 -6.845 -8.636 370 HE22 GLN 52 2HE2 GLN 52 9.714 -7.129 -9.365 371 H HIS 53 H HIS 53 7.737 -8.213 -3.358 372 HA HIS 53 HA HIS 53 8.381 -5.755 -1.859 373 HB2 HIS 53 2HB HIS 53 5.773 -6.532 -3.180 374 HB3 HIS 53 1HB HIS 53 5.902 -5.241 -1.987 375 HD1 HIS 53 HD1 HIS 53 6.758 -6.067 -5.535 376 HD2 HIS 53 HD2 HIS 53 7.141 -2.897 -2.884 377 HE1 HIS 53 HE1 HIS 53 7.420 -4.102 -6.936 378 HE2 HIS 53 HE2 HIS 53 7.340 -2.157 -5.348 379 HA PRO 54 HA PRO 54 7.448 -7.998 1.852 380 HB2 PRO 54 2HB PRO 54 6.596 -5.960 3.456 381 HB3 PRO 54 1HB PRO 54 8.290 -6.190 3.005 382 HG2 PRO 54 2HG PRO 54 6.246 -4.356 1.788 383 HG3 PRO 54 1HG PRO 54 7.919 -4.003 2.263 384 HD2 PRO 54 2HD PRO 54 7.275 -4.492 -0.294 385 HD3 PRO 54 1HD PRO 54 8.809 -5.067 0.395 386 H ASN 55 H ASN 55 4.952 -5.978 0.418 387 HA ASN 55 HA ASN 55 2.697 -5.835 0.639 388 HB2 ASN 55 2HB ASN 55 3.038 -8.824 0.969 389 HB3 ASN 55 1HB ASN 55 1.487 -8.029 0.706 390 HD21 ASN 55 1HD2 ASN 55 1.126 -9.025 -1.269 391 HD22 ASN 55 2HD2 ASN 55 2.033 -8.639 -2.683 392 HA PRO 56 HA PRO 56 2.901 -5.897 5.367 393 HB2 PRO 56 2HB PRO 56 2.381 -3.008 5.004 394 HB3 PRO 56 1HB PRO 56 3.609 -3.812 5.987 395 HG2 PRO 56 2HG PRO 56 4.258 -2.494 3.741 396 HG3 PRO 56 1HG PRO 56 5.103 -3.977 4.225 397 HD2 PRO 56 2HD PRO 56 2.935 -3.615 2.177 398 HD3 PRO 56 1HD PRO 56 4.427 -4.577 2.076 399 H CYS 57 H CYS 57 0.745 -4.966 2.882 400 HA CYS 57 HA CYS 57 -1.454 -4.199 4.613 401 HB2 CYS 57 2HB CYS 57 -1.726 -4.713 1.660 402 HB3 CYS 57 1HB CYS 57 -2.568 -3.536 2.664 403 HA PRO 58 HA PRO 58 -2.901 -8.327 5.409 404 HB2 PRO 58 2HB PRO 58 -5.569 -6.965 5.277 405 HB3 PRO 58 1HB PRO 58 -4.932 -8.067 6.503 406 HG2 PRO 58 2HG PRO 58 -5.000 -5.464 6.980 407 HG3 PRO 58 1HG PRO 58 -3.587 -6.421 7.470 408 HD2 PRO 58 2HD PRO 58 -3.900 -4.541 5.163 409 HD3 PRO 58 1HD PRO 58 -2.483 -4.839 6.191 410 HA PRO 59 HA PRO 59 -3.961 -10.363 1.600 411 HB2 PRO 59 2HB PRO 59 -5.975 -11.781 3.321 412 HB3 PRO 59 1HB PRO 59 -4.826 -12.449 2.151 413 HG2 PRO 59 2HG PRO 59 -4.304 -12.590 4.752 414 HG3 PRO 59 1HG PRO 59 -3.011 -12.209 3.597 415 HD2 PRO 59 2HD PRO 59 -4.450 -10.409 5.496 416 HD3 PRO 59 1HD PRO 59 -2.765 -10.351 4.937 417 H GLY 60 H GLY 60 -5.315 -9.872 -0.052 418 HA2 GLY 60 2HA GLY 60 -7.523 -9.426 -0.950 419 HA3 GLY 60 1HA GLY 60 -7.958 -8.702 0.592 420 H TYR 61 H TYR 61 -5.209 -7.411 0.612 421 HA TYR 61 HA TYR 61 -5.607 -5.349 -1.472 422 HB2 TYR 61 2HB TYR 61 -4.693 -4.941 1.394 423 HB3 TYR 61 1HB TYR 61 -4.649 -3.696 0.152 424 HD1 TYR 61 HD2 TYR 61 -6.883 -5.799 2.214 425 HD2 TYR 61 HD1 TYR 61 -6.633 -2.491 -0.454 426 HE1 TYR 61 HE2 TYR 61 -9.191 -5.178 2.776 427 HE2 TYR 61 HE1 TYR 61 -8.945 -1.861 0.104 428 HH TYR 61 HH TYR 61 -10.644 -3.263 2.734 429 H GLU 62 H GLU 62 -3.550 -4.122 -1.952 430 HA GLU 62 HA GLU 62 -1.072 -5.546 -1.347 431 HB2 GLU 62 2HB GLU 62 -0.430 -5.761 -3.694 432 HB3 GLU 62 1HB GLU 62 -1.935 -6.615 -3.395 433 HG2 GLU 62 2HG GLU 62 -3.134 -4.580 -4.293 434 HG3 GLU 62 1HG GLU 62 -1.559 -3.985 -4.809 435 HA PRO 63 HA PRO 63 0.536 -1.443 -1.139 436 HB2 PRO 63 2HB PRO 63 3.179 -1.842 -1.625 437 HB3 PRO 63 1HB PRO 63 2.389 -2.360 -0.130 438 HG2 PRO 63 2HG PRO 63 3.084 -3.971 -2.564 439 HG3 PRO 63 1HG PRO 63 3.274 -4.395 -0.851 440 HD2 PRO 63 2HD PRO 63 1.206 -5.297 -2.369 441 HD3 PRO 63 1HD PRO 63 1.065 -5.007 -0.625 442 H ASP 64 H ASP 64 0.411 0.227 -2.498 443 HA ASP 64 HA ASP 64 0.953 -0.197 -5.362 444 HB2 ASP 64 2HB ASP 64 -1.272 0.649 -4.814 445 HB3 ASP 64 1HB ASP 64 -0.571 1.997 -3.926 446 H ASP 65 H ASP 65 3.053 0.267 -5.852 447 HA ASP 65 HA ASP 65 4.421 2.494 -4.584 448 HB2 ASP 65 2HB ASP 65 5.373 0.832 -6.935 449 HB3 ASP 65 1HB ASP 65 6.354 1.821 -5.860 450 H GLN 66 H GLN 66 3.660 4.470 -5.247 451 HA GLN 66 HA GLN 66 3.811 4.980 -8.149 452 HB2 GLN 66 2HB GLN 66 2.285 6.916 -7.787 453 HB3 GLN 66 1HB GLN 66 1.549 5.352 -7.479 454 HG2 GLN 66 2HG GLN 66 1.819 5.709 -5.063 455 HG3 GLN 66 1HG GLN 66 2.533 7.292 -5.390 456 HE21 GLN 66 1HE2 GLN 66 -0.119 5.930 -7.223 457 HE22 GLN 66 2HE2 GLN 66 -1.302 7.077 -6.713 458 H ASP 67 H ASP 67 5.306 6.340 -8.848 459 HA ASP 67 HA ASP 67 7.299 7.284 -7.050 460 HB2 ASP 67 2HB ASP 67 6.915 7.802 -10.009 461 HB3 ASP 67 1HB ASP 67 8.373 8.186 -9.095 462 H SER 68 H SER 68 6.789 8.926 -5.702 463 HA SER 68 HA SER 68 5.174 11.168 -6.520 464 HB2 SER 68 2HB SER 68 6.811 10.788 -3.990 465 HB3 SER 68 1HB SER 68 5.599 12.044 -4.260 466 HG SER 68 HG SER 68 5.283 9.377 -3.632 467 H CYS 69 H CYS 69 6.408 11.948 -8.317 468 HA CYS 69 HA CYS 69 9.077 12.907 -8.066 469 HB2 CYS 69 2HB CYS 69 6.951 13.680 -10.075 470 HB3 CYS 69 1HB CYS 69 8.660 14.062 -10.210 471 H VAL 70 H VAL 70 6.030 14.284 -7.187 472 HA VAL 70 HA VAL 70 7.346 16.864 -6.623 473 HB VAL 70 HB VAL 70 4.512 16.543 -7.650 474 HG11 VAL 70 1HG1 VAL 70 4.498 18.998 -7.755 475 HG12 VAL 70 2HG1 VAL 70 6.104 19.038 -7.028 476 HG13 VAL 70 3HG1 VAL 70 4.733 18.420 -6.106 477 HG21 VAL 70 3HG2 VAL 70 5.302 17.670 -9.676 478 HG22 VAL 70 1HG2 VAL 70 6.146 16.144 -9.421 479 HG23 VAL 70 2HG2 VAL 70 6.948 17.668 -9.041 480 H ASP 71 H ASP 71 6.957 17.718 -4.644 481 HA ASP 71 HA ASP 71 4.880 16.470 -2.961 482 HB2 ASP 71 2HB ASP 71 6.401 16.762 -1.006 483 HB3 ASP 71 1HB ASP 71 7.015 15.631 -2.205 Start of MODEL 7 1 H1 SER 1 1H SER 1 -4.605 -1.617 -17.843 2 H2 SER 1 2H SER 1 -3.927 -1.152 -19.323 3 H3 SER 1 3H SER 1 -4.975 -0.104 -18.507 4 HA SER 1 HA SER 1 -3.412 0.112 -16.695 5 HB2 SER 1 2HB SER 1 -2.340 -2.097 -16.918 6 HB3 SER 1 1HB SER 1 -1.593 -1.586 -18.432 7 HG SER 1 HG SER 1 -0.345 -1.420 -16.345 8 H ASP 2 H ASP 2 -2.239 1.993 -16.701 9 HA ASP 2 HA ASP 2 -1.384 3.088 -19.299 10 HB2 ASP 2 2HB ASP 2 -3.076 4.575 -17.264 11 HB3 ASP 2 1HB ASP 2 -2.422 5.257 -18.751 12 H VAL 3 H VAL 3 0.244 4.698 -19.186 13 HA VAL 3 HA VAL 3 1.973 4.436 -16.858 14 HB VAL 3 HB VAL 3 2.467 5.837 -19.501 15 HG11 VAL 3 1HG1 VAL 3 4.836 5.803 -18.872 16 HG12 VAL 3 2HG1 VAL 3 4.418 5.099 -17.310 17 HG13 VAL 3 3HG1 VAL 3 3.884 6.731 -17.713 18 HG21 VAL 3 3HG2 VAL 3 2.134 3.442 -19.793 19 HG22 VAL 3 1HG2 VAL 3 3.327 3.104 -18.539 20 HG23 VAL 3 2HG2 VAL 3 3.827 3.862 -20.051 21 H ASN 4 H ASN 4 2.762 6.171 -15.618 22 HA ASN 4 HA ASN 4 1.559 8.818 -16.018 23 HB2 ASN 4 2HB ASN 4 0.840 8.943 -13.666 24 HB3 ASN 4 1HB ASN 4 0.014 7.647 -14.523 25 HD21 ASN 4 1HD2 ASN 4 2.415 8.408 -12.115 26 HD22 ASN 4 2HD2 ASN 4 2.506 6.825 -11.435 27 H GLU 5 H GLU 5 2.825 10.517 -15.348 28 HA GLU 5 HA GLU 5 5.442 9.940 -14.170 29 HB2 GLU 5 2HB GLU 5 4.312 12.634 -14.957 30 HB3 GLU 5 1HB GLU 5 5.994 12.236 -14.666 31 HG2 GLU 5 2HG GLU 5 6.073 10.900 -16.674 32 HG3 GLU 5 1HG GLU 5 4.344 11.138 -16.936 33 H CYS 6 H CYS 6 5.731 12.470 -12.779 34 HA CYS 6 HA CYS 6 4.550 11.766 -10.257 35 HB2 CYS 6 2HB CYS 6 6.779 12.778 -10.336 36 HB3 CYS 6 1HB CYS 6 6.107 14.249 -11.039 37 H LEU 7 H LEU 7 3.593 13.861 -12.848 38 HA LEU 7 HA LEU 7 1.928 15.632 -11.350 39 HB2 LEU 7 2HB LEU 7 1.249 16.540 -13.371 40 HB3 LEU 7 1HB LEU 7 2.841 15.918 -13.756 41 HG LEU 7 HG LEU 7 0.240 14.516 -14.423 42 HD11 LEU 7 1HD1 LEU 7 0.704 15.151 -16.742 43 HD12 LEU 7 2HD1 LEU 7 2.086 16.103 -16.202 44 HD13 LEU 7 3HD1 LEU 7 0.455 16.558 -15.712 45 HD21 LEU 7 3HD2 LEU 7 2.120 12.975 -14.125 46 HD22 LEU 7 1HD2 LEU 7 3.065 13.906 -15.287 47 HD23 LEU 7 2HD2 LEU 7 1.609 13.059 -15.811 48 H THR 8 H THR 8 1.563 12.406 -11.688 49 HA THR 8 HA THR 8 -1.039 11.972 -12.628 50 HB THR 8 HB THR 8 0.605 10.159 -12.316 51 HG1 THR 8 HG1 THR 8 -0.945 8.654 -11.311 52 HG21 THR 8 3HG2 THR 8 0.946 9.179 -10.085 53 HG22 THR 8 1HG2 THR 8 0.015 10.494 -9.369 54 HG23 THR 8 2HG2 THR 8 1.552 10.834 -10.168 55 H ILE 9 H ILE 9 -2.692 10.795 -11.048 56 HA ILE 9 HA ILE 9 -3.780 12.895 -9.431 57 HB ILE 9 HB ILE 9 -4.714 10.033 -9.809 58 HG12 ILE 9 2HG1 ILE 9 -4.678 11.301 -11.913 59 HG13 ILE 9 1HG1 ILE 9 -6.334 10.995 -11.402 60 HG21 ILE 9 1HG2 ILE 9 -6.187 12.396 -8.632 61 HG22 ILE 9 2HG2 ILE 9 -5.637 10.965 -7.760 62 HG23 ILE 9 3HG2 ILE 9 -6.896 10.819 -8.985 63 HD11 ILE 9 3HD1 ILE 9 -6.493 13.282 -10.553 64 HD12 ILE 9 1HD1 ILE 9 -6.082 13.244 -12.267 65 HD13 ILE 9 2HD1 ILE 9 -4.834 13.587 -11.070 66 HA PRO 10 HA PRO 10 -1.834 11.754 -5.565 67 HB2 PRO 10 2HB PRO 10 -3.560 13.030 -3.859 68 HB3 PRO 10 1HB PRO 10 -2.294 13.853 -4.776 69 HG2 PRO 10 2HG PRO 10 -5.215 13.585 -5.400 70 HG3 PRO 10 1HG PRO 10 -4.176 15.017 -5.520 71 HD2 PRO 10 2HD PRO 10 -4.824 13.573 -7.691 72 HD3 PRO 10 1HD PRO 10 -3.220 14.315 -7.520 73 H GLU 11 H GLU 11 -2.692 9.491 -6.201 74 HA GLU 11 HA GLU 11 -4.949 8.545 -4.634 75 HB2 GLU 11 2HB GLU 11 -2.974 7.148 -6.440 76 HB3 GLU 11 1HB GLU 11 -4.214 6.291 -5.537 77 HG2 GLU 11 2HG GLU 11 -5.945 7.553 -6.715 78 HG3 GLU 11 1HG GLU 11 -4.698 8.403 -7.630 79 H ALA 12 H ALA 12 -1.926 9.359 -3.751 80 HA ALA 12 HA ALA 12 -1.685 7.143 -1.813 81 HB1 ALA 12 3HB ALA 12 0.510 8.890 -2.925 82 HB2 ALA 12 1HB ALA 12 0.186 7.217 -3.375 83 HB3 ALA 12 2HB ALA 12 0.714 7.601 -1.737 84 H CYS 13 H CYS 13 -0.956 7.667 0.317 85 HA CYS 13 HA CYS 13 -1.975 10.275 1.206 86 HB2 CYS 13 2HB CYS 13 -1.482 7.669 2.661 87 HB3 CYS 13 1HB CYS 13 -1.942 9.151 3.483 88 H LYS 14 H LYS 14 -0.711 11.754 2.302 89 HA LYS 14 HA LYS 14 2.140 11.467 2.058 90 HB2 LYS 14 2HB LYS 14 1.046 13.633 1.683 91 HB3 LYS 14 1HB LYS 14 0.512 13.663 3.358 92 HG2 LYS 14 2HG LYS 14 2.800 13.815 4.132 93 HG3 LYS 14 1HG LYS 14 3.401 13.637 2.482 94 HD2 LYS 14 2HD LYS 14 2.356 15.747 1.852 95 HD3 LYS 14 1HD LYS 14 1.687 15.920 3.476 96 HE2 LYS 14 2HE LYS 14 3.947 16.055 4.401 97 HE3 LYS 14 1HE LYS 14 4.631 15.829 2.789 98 HZ1 LYS 14 3HZ LYS 14 2.881 18.101 3.555 99 HZ2 LYS 14 1HZ LYS 14 3.708 17.903 2.093 100 HZ3 LYS 14 2HZ LYS 14 4.571 18.166 3.522 101 H GLY 15 H GLY 15 3.637 10.989 3.600 102 HA2 GLY 15 2HA GLY 15 4.494 10.339 5.646 103 HA3 GLY 15 1HA GLY 15 3.047 10.975 6.415 104 H GLU 16 H GLU 16 2.159 8.887 3.962 105 HA GLU 16 HA GLU 16 2.160 6.493 5.664 106 HB2 GLU 16 2HB GLU 16 -0.302 7.736 4.411 107 HB3 GLU 16 1HB GLU 16 -0.254 6.115 5.095 108 HG2 GLU 16 2HG GLU 16 0.319 7.076 7.285 109 HG3 GLU 16 1HG GLU 16 0.216 8.691 6.590 110 H MET 17 H MET 17 1.621 4.508 4.481 111 HA MET 17 HA MET 17 2.405 4.627 1.662 112 HB2 MET 17 2HB MET 17 2.209 2.342 3.627 113 HB3 MET 17 1HB MET 17 2.554 2.111 1.921 114 HG2 MET 17 2HG MET 17 4.547 3.585 2.191 115 HG3 MET 17 1HG MET 17 4.227 3.609 3.924 116 HE1 MET 17 3HE MET 17 4.186 1.355 5.417 117 HE2 MET 17 1HE MET 17 4.599 -0.235 4.775 118 HE3 MET 17 2HE MET 17 3.121 0.570 4.247 119 H LYS 18 H LYS 18 1.176 3.690 0.021 120 HA LYS 18 HA LYS 18 -1.701 3.659 0.504 121 HB2 LYS 18 2HB LYS 18 -0.890 5.031 -1.311 122 HB3 LYS 18 1HB LYS 18 -0.026 3.667 -2.012 123 HG2 LYS 18 2HG LYS 18 -2.263 2.564 -2.370 124 HG3 LYS 18 1HG LYS 18 -3.008 4.095 -1.895 125 HD2 LYS 18 2HD LYS 18 -1.832 5.236 -3.729 126 HD3 LYS 18 1HD LYS 18 -1.070 3.714 -4.191 127 HE2 LYS 18 2HE LYS 18 -3.390 2.788 -4.544 128 HE3 LYS 18 1HE LYS 18 -4.000 4.430 -4.334 129 HZ1 LYS 18 3HZ LYS 18 -2.475 5.071 -6.196 130 HZ2 LYS 18 1HZ LYS 18 -3.745 4.047 -6.651 131 HZ3 LYS 18 2HZ LYS 18 -2.179 3.430 -6.456 132 H CYS 19 H CYS 19 -2.688 1.778 0.929 133 HA CYS 19 HA CYS 19 -1.604 -0.740 -0.174 134 HB2 CYS 19 2HB CYS 19 -3.593 -0.390 2.082 135 HB3 CYS 19 1HB CYS 19 -2.815 -1.890 1.592 136 H ILE 20 H ILE 20 -2.595 -1.286 -2.055 137 HA ILE 20 HA ILE 20 -5.545 -1.206 -2.128 138 HB ILE 20 HB ILE 20 -5.513 -0.603 -4.512 139 HG12 ILE 20 2HG1 ILE 20 -2.558 -0.046 -4.124 140 HG13 ILE 20 1HG1 ILE 20 -3.204 -1.437 -4.986 141 HG21 ILE 20 1HG2 ILE 20 -4.114 1.413 -2.757 142 HG22 ILE 20 2HG2 ILE 20 -5.854 1.141 -2.844 143 HG23 ILE 20 3HG2 ILE 20 -4.990 1.771 -4.247 144 HD11 ILE 20 3HD1 ILE 20 -2.501 0.276 -6.534 145 HD12 ILE 20 1HD1 ILE 20 -3.563 1.449 -5.755 146 HD13 ILE 20 2HD1 ILE 20 -4.251 0.069 -6.611 147 H ASN 21 H ASN 21 -6.502 -2.676 -3.722 148 HA ASN 21 HA ASN 21 -4.710 -4.867 -4.556 149 HB2 ASN 21 2HB ASN 21 -6.568 -6.474 -4.087 150 HB3 ASN 21 1HB ASN 21 -5.892 -5.719 -2.649 151 HD21 ASN 21 1HD2 ASN 21 -7.798 -6.258 -1.543 152 HD22 ASN 21 2HD2 ASN 21 -9.244 -5.334 -1.744 153 H HIS 22 H HIS 22 -5.754 -6.288 -6.259 154 HA HIS 22 HA HIS 22 -6.474 -4.792 -8.517 155 HB2 HIS 22 2HB HIS 22 -6.867 -7.750 -7.973 156 HB3 HIS 22 1HB HIS 22 -7.054 -6.994 -9.552 157 HD1 HIS 22 HD1 HIS 22 -4.467 -8.081 -7.085 158 HD2 HIS 22 HD2 HIS 22 -4.650 -6.291 -10.834 159 HE1 HIS 22 HE1 HIS 22 -2.122 -8.145 -7.978 160 HE2 HIS 22 HE2 HIS 22 -2.227 -6.910 -10.162 161 H TYR 23 H TYR 23 -8.430 -6.042 -5.958 162 HA TYR 23 HA TYR 23 -10.954 -6.004 -7.231 163 HB2 TYR 23 2HB TYR 23 -10.667 -7.184 -5.145 164 HB3 TYR 23 1HB TYR 23 -10.169 -5.712 -4.321 165 HD1 TYR 23 HD1 TYR 23 -13.094 -6.942 -6.321 166 HD2 TYR 23 HD2 TYR 23 -11.740 -4.735 -2.939 167 HE1 TYR 23 HE1 TYR 23 -15.427 -6.561 -5.642 168 HE2 TYR 23 HE2 TYR 23 -14.067 -4.345 -2.255 169 HH TYR 23 HH TYR 23 -16.271 -4.312 -3.174 170 H GLY 24 H GLY 24 -8.999 -3.484 -5.759 171 HA2 GLY 24 2HA GLY 24 -9.331 -1.223 -6.659 172 HA3 GLY 24 1HA GLY 24 -11.059 -1.504 -6.557 173 H GLY 25 H GLY 25 -9.791 -2.849 -3.827 174 HA2 GLY 25 2HA GLY 25 -10.833 -0.845 -2.104 175 HA3 GLY 25 1HA GLY 25 -9.890 -2.241 -1.609 176 H TYR 26 H TYR 26 -9.860 0.713 -0.862 177 HA TYR 26 HA TYR 26 -6.990 1.228 -1.357 178 HB2 TYR 26 2HB TYR 26 -8.238 2.780 -2.691 179 HB3 TYR 26 1HB TYR 26 -9.303 3.173 -1.347 180 HD1 TYR 26 HD2 TYR 26 -5.783 3.461 -2.520 181 HD2 TYR 26 HD1 TYR 26 -8.788 4.989 0.087 182 HE1 TYR 26 HE2 TYR 26 -4.330 5.357 -1.959 183 HE2 TYR 26 HE1 TYR 26 -7.337 6.892 0.648 184 HH TYR 26 HH TYR 26 -4.828 7.370 0.635 185 H LEU 27 H LEU 27 -5.776 1.443 0.403 186 HA LEU 27 HA LEU 27 -6.936 2.487 2.902 187 HB2 LEU 27 2HB LEU 27 -5.228 -0.003 2.668 188 HB3 LEU 27 1HB LEU 27 -5.636 0.779 4.183 189 HG LEU 27 HG LEU 27 -7.635 -0.481 2.286 190 HD11 LEU 27 1HD1 LEU 27 -6.569 -1.480 4.931 191 HD12 LEU 27 2HD1 LEU 27 -6.186 -2.148 3.343 192 HD13 LEU 27 3HD1 LEU 27 -7.834 -2.241 3.962 193 HD21 LEU 27 3HD2 LEU 27 -7.989 0.643 5.072 194 HD22 LEU 27 1HD2 LEU 27 -9.229 -0.179 4.123 195 HD23 LEU 27 2HD2 LEU 27 -8.586 1.370 3.579 196 H CYS 28 H CYS 28 -5.322 3.401 4.370 197 HA CYS 28 HA CYS 28 -2.629 3.766 3.217 198 HB2 CYS 28 2HB CYS 28 -4.371 5.922 4.426 199 HB3 CYS 28 1HB CYS 28 -2.634 6.107 4.202 200 H LEU 29 H LEU 29 -0.990 3.375 4.576 201 HA LEU 29 HA LEU 29 -1.596 3.027 7.453 202 HB2 LEU 29 2HB LEU 29 0.207 1.429 5.636 203 HB3 LEU 29 1HB LEU 29 0.278 1.306 7.381 204 HG LEU 29 HG LEU 29 -2.085 0.600 5.634 205 HD11 LEU 29 1HD1 LEU 29 -1.651 -1.686 6.399 206 HD12 LEU 29 2HD1 LEU 29 -0.224 -1.122 7.268 207 HD13 LEU 29 3HD1 LEU 29 -0.280 -1.021 5.509 208 HD21 LEU 29 3HD2 LEU 29 -3.148 -0.206 7.689 209 HD22 LEU 29 1HD2 LEU 29 -2.842 1.528 7.765 210 HD23 LEU 29 2HD2 LEU 29 -1.791 0.409 8.636 211 HA PRO 30 HA PRO 30 1.487 6.038 8.546 212 HB2 PRO 30 2HB PRO 30 2.736 4.578 10.609 213 HB3 PRO 30 1HB PRO 30 1.363 5.674 10.784 214 HG2 PRO 30 2HG PRO 30 1.388 2.696 10.518 215 HG3 PRO 30 1HG PRO 30 0.340 3.728 11.511 216 HD2 PRO 30 2HD PRO 30 -0.570 2.634 9.257 217 HD3 PRO 30 1HD PRO 30 -1.019 4.298 9.695 218 H ARG 31 H ARG 31 3.359 6.493 7.517 219 HA ARG 31 HA ARG 31 4.836 4.376 6.232 220 HB2 ARG 31 2HB ARG 31 4.331 6.572 5.157 221 HB3 ARG 31 1HB ARG 31 5.447 7.341 6.278 222 HG2 ARG 31 2HG ARG 31 7.287 6.016 5.360 223 HG3 ARG 31 1HG ARG 31 6.168 5.224 4.250 224 HD2 ARG 31 2HD ARG 31 5.713 7.322 3.142 225 HD3 ARG 31 1HD ARG 31 6.697 8.197 4.317 226 HE ARG 31 HE ARG 31 8.327 6.268 3.177 227 HH11 ARG 31 1HH1 ARG 31 6.597 9.050 2.096 228 HH12 ARG 31 2HH1 ARG 31 7.760 9.419 0.875 229 HH21 ARG 31 1HH2 ARG 31 9.787 6.744 1.615 230 HH22 ARG 31 2HH2 ARG 31 9.535 8.110 0.583 231 H SER 32 H SER 32 5.002 5.506 9.317 232 HA SER 32 HA SER 32 7.648 5.873 9.985 233 HB2 SER 32 2HB SER 32 7.094 4.861 12.191 234 HB3 SER 32 1HB SER 32 5.881 6.018 11.650 235 HG SER 32 HG SER 32 4.655 4.355 12.216 236 H ALA 33 H ALA 33 6.030 2.835 9.213 237 HA ALA 33 HA ALA 33 8.694 1.554 9.086 238 HB1 ALA 33 3HB ALA 33 7.249 0.570 10.838 239 HB2 ALA 33 1HB ALA 33 7.643 -0.584 9.563 240 HB3 ALA 33 2HB ALA 33 6.051 0.175 9.605 241 H ALA 34 H ALA 34 9.276 1.566 7.003 242 HA ALA 34 HA ALA 34 7.394 0.466 5.013 243 HB1 ALA 34 3HB ALA 34 8.286 1.990 3.325 244 HB2 ALA 34 1HB ALA 34 9.335 2.733 4.531 245 HB3 ALA 34 2HB ALA 34 7.583 2.888 4.670 246 H VAL 35 H VAL 35 8.179 -1.171 3.816 247 HA VAL 35 HA VAL 35 9.514 -2.940 3.281 248 HB VAL 35 HB VAL 35 11.371 -2.409 1.836 249 HG11 VAL 35 1HG1 VAL 35 9.119 -0.422 1.510 250 HG12 VAL 35 2HG1 VAL 35 9.129 -2.094 0.947 251 HG13 VAL 35 3HG1 VAL 35 10.245 -0.922 0.246 252 HG21 VAL 35 3HG2 VAL 35 12.478 -0.685 3.187 253 HG22 VAL 35 1HG2 VAL 35 11.170 0.444 2.824 254 HG23 VAL 35 2HG2 VAL 35 12.221 -0.138 1.531 255 H ILE 36 H ILE 36 9.945 -2.045 6.081 256 HA ILE 36 HA ILE 36 12.776 -2.626 6.506 257 HB ILE 36 HB ILE 36 12.149 -2.181 8.970 258 HG12 ILE 36 2HG1 ILE 36 10.184 -0.610 9.200 259 HG13 ILE 36 1HG1 ILE 36 9.692 -1.068 7.576 260 HG21 ILE 36 1HG2 ILE 36 12.362 0.240 8.639 261 HG22 ILE 36 2HG2 ILE 36 11.991 0.038 6.926 262 HG23 ILE 36 3HG2 ILE 36 13.462 -0.663 7.599 263 HD11 ILE 36 3HD1 ILE 36 9.370 -3.363 8.316 264 HD12 ILE 36 1HD1 ILE 36 8.411 -2.238 9.275 265 HD13 ILE 36 2HD1 ILE 36 9.894 -2.920 9.942 266 H ASN 37 H ASN 37 10.167 -4.512 6.057 267 HA ASN 37 HA ASN 37 11.360 -6.691 7.586 268 HB2 ASN 37 2HB ASN 37 9.114 -7.428 8.416 269 HB3 ASN 37 1HB ASN 37 9.693 -5.929 9.131 270 HD21 ASN 37 1HD2 ASN 37 6.972 -6.961 8.883 271 HD22 ASN 37 2HD2 ASN 37 6.082 -5.758 8.025 272 H ASP 38 H ASP 38 11.450 -8.529 6.490 273 HA ASP 38 HA ASP 38 9.709 -8.909 4.137 274 HB2 ASP 38 2HB ASP 38 12.061 -8.874 3.541 275 HB3 ASP 38 1HB ASP 38 12.440 -10.060 4.783 276 H LEU 39 H LEU 39 8.085 -10.311 4.444 277 HA LEU 39 HA LEU 39 8.215 -12.119 6.763 278 HB2 LEU 39 2HB LEU 39 5.869 -11.062 5.180 279 HB3 LEU 39 1HB LEU 39 5.716 -12.277 6.432 280 HG LEU 39 HG LEU 39 5.094 -10.158 7.356 281 HD11 LEU 39 1HD1 LEU 39 6.678 -9.927 9.208 282 HD12 LEU 39 2HD1 LEU 39 7.844 -10.924 8.337 283 HD13 LEU 39 3HD1 LEU 39 6.310 -11.616 8.867 284 HD21 LEU 39 3HD2 LEU 39 7.786 -9.111 6.480 285 HD22 LEU 39 1HD2 LEU 39 6.583 -8.229 7.418 286 HD23 LEU 39 2HD2 LEU 39 6.231 -8.702 5.756 287 H HIS 40 H HIS 40 6.985 -14.203 6.568 288 HA HIS 40 HA HIS 40 6.488 -16.210 5.649 289 HB2 HIS 40 2HB HIS 40 5.112 -14.929 4.080 290 HB3 HIS 40 1HB HIS 40 6.502 -14.697 3.027 291 HD1 HIS 40 HD1 HIS 40 6.611 -16.292 1.150 292 HD2 HIS 40 HD2 HIS 40 4.536 -17.874 4.380 293 HE1 HIS 40 HE1 HIS 40 5.798 -18.539 0.389 294 HE2 HIS 40 HE2 HIS 40 4.679 -19.536 2.409 295 H GLY 41 H GLY 41 9.411 -14.676 5.009 296 HA2 GLY 41 2HA GLY 41 10.604 -16.689 3.334 297 HA3 GLY 41 1HA GLY 41 11.448 -15.407 4.187 298 H GLU 42 H GLU 42 9.712 -18.446 4.861 299 HA GLU 42 HA GLU 42 11.711 -19.046 6.955 300 HB2 GLU 42 2HB GLU 42 9.641 -18.402 8.022 301 HB3 GLU 42 1HB GLU 42 8.725 -19.507 7.010 302 HG2 GLU 42 2HG GLU 42 9.830 -21.411 8.078 303 HG3 GLU 42 1HG GLU 42 10.766 -20.302 9.083 304 H GLY 43 H GLY 43 12.945 -20.599 6.028 305 HA2 GLY 43 2HA GLY 43 13.446 -22.818 5.546 306 HA3 GLY 43 1HA GLY 43 11.728 -23.179 5.504 307 HA PRO 44 HA PRO 44 12.667 -23.485 1.091 308 HB2 PRO 44 2HB PRO 44 10.336 -24.613 0.323 309 HB3 PRO 44 1HB PRO 44 11.577 -25.517 1.200 310 HG2 PRO 44 2HG PRO 44 9.067 -24.247 2.243 311 HG3 PRO 44 1HG PRO 44 9.745 -25.843 2.609 312 HD2 PRO 44 2HD PRO 44 10.045 -23.675 4.243 313 HD3 PRO 44 1HD PRO 44 11.226 -24.998 4.154 314 HA PRO 45 HA PRO 45 10.290 -19.769 -0.095 315 HB2 PRO 45 2HB PRO 45 12.247 -18.460 -1.330 316 HB3 PRO 45 1HB PRO 45 12.273 -18.644 0.428 317 HG2 PRO 45 2HG PRO 45 13.840 -20.113 -1.652 318 HG3 PRO 45 1HG PRO 45 14.346 -19.566 -0.044 319 HD2 PRO 45 2HD PRO 45 13.472 -22.162 -0.729 320 HD3 PRO 45 1HD PRO 45 13.673 -21.522 0.914 321 HA PRO 46 HA PRO 46 9.215 -20.853 -4.321 322 HB2 PRO 46 2HB PRO 46 8.572 -18.395 -5.350 323 HB3 PRO 46 1HB PRO 46 7.513 -19.309 -4.272 324 HG2 PRO 46 2HG PRO 46 9.397 -17.066 -3.617 325 HG3 PRO 46 1HG PRO 46 7.732 -17.327 -3.059 326 HD2 PRO 46 2HD PRO 46 9.851 -17.935 -1.513 327 HD3 PRO 46 1HD PRO 46 8.373 -18.919 -1.493 328 HA PRO 47 HA PRO 47 12.980 -20.346 -6.661 329 HB2 PRO 47 2HB PRO 47 11.985 -20.871 -9.179 330 HB3 PRO 47 1HB PRO 47 12.387 -22.112 -7.989 331 HG2 PRO 47 2HG PRO 47 9.718 -20.913 -8.650 332 HG3 PRO 47 1HG PRO 47 10.141 -22.613 -8.357 333 HD2 PRO 47 2HD PRO 47 8.963 -21.123 -6.461 334 HD3 PRO 47 1HD PRO 47 10.200 -22.329 -6.045 335 H VAL 48 H VAL 48 10.083 -18.568 -7.504 336 HA VAL 48 HA VAL 48 11.727 -16.502 -8.835 337 HB VAL 48 HB VAL 48 8.774 -17.040 -9.257 338 HG11 VAL 48 1HG1 VAL 48 9.352 -14.703 -9.599 339 HG12 VAL 48 2HG1 VAL 48 9.001 -15.472 -11.146 340 HG13 VAL 48 3HG1 VAL 48 10.672 -15.163 -10.675 341 HG21 VAL 48 3HG2 VAL 48 11.111 -17.694 -11.063 342 HG22 VAL 48 1HG2 VAL 48 9.405 -17.898 -11.468 343 HG23 VAL 48 2HG2 VAL 48 10.128 -18.861 -10.178 344 HA PRO 49 HA PRO 49 10.183 -14.127 -5.237 345 HB2 PRO 49 2HB PRO 49 12.398 -12.319 -5.784 346 HB3 PRO 49 1HB PRO 49 12.130 -13.341 -4.371 347 HG2 PRO 49 2HG PRO 49 14.128 -13.784 -6.174 348 HG3 PRO 49 1HG PRO 49 13.366 -15.077 -5.230 349 HD2 PRO 49 2HD PRO 49 12.863 -14.262 -8.077 350 HD3 PRO 49 1HD PRO 49 12.996 -15.892 -7.376 351 HA PRO 50 HA PRO 50 8.110 -11.657 -8.469 352 HB2 PRO 50 2HB PRO 50 6.054 -10.776 -6.863 353 HB3 PRO 50 1HB PRO 50 6.073 -12.342 -7.679 354 HG2 PRO 50 2HG PRO 50 6.773 -11.673 -4.842 355 HG3 PRO 50 1HG PRO 50 5.830 -13.038 -5.472 356 HD2 PRO 50 2HD PRO 50 8.403 -13.322 -4.735 357 HD3 PRO 50 1HD PRO 50 7.727 -14.217 -6.113 358 H ALA 51 H ALA 51 8.279 -10.316 -5.159 359 HA ALA 51 HA ALA 51 9.895 -8.106 -5.787 360 HB1 ALA 51 3HB ALA 51 7.945 -7.333 -7.070 361 HB2 ALA 51 1HB ALA 51 8.289 -6.266 -5.708 362 HB3 ALA 51 2HB ALA 51 6.955 -7.416 -5.613 363 H GLN 52 H GLN 52 10.885 -7.823 -3.859 364 HA GLN 52 HA GLN 52 9.731 -8.822 -1.456 365 HB2 GLN 52 2HB GLN 52 12.137 -8.916 -1.820 366 HB3 GLN 52 1HB GLN 52 12.228 -7.160 -1.851 367 HG2 GLN 52 2HG GLN 52 11.754 -6.993 0.462 368 HG3 GLN 52 1HG GLN 52 11.233 -8.675 0.552 369 HE21 GLN 52 1HE2 GLN 52 12.749 -10.288 0.703 370 HE22 GLN 52 2HE2 GLN 52 14.426 -9.990 0.998 371 H HIS 53 H HIS 53 7.774 -7.618 -1.368 372 HA HIS 53 HA HIS 53 8.062 -4.945 -0.152 373 HB2 HIS 53 2HB HIS 53 5.759 -6.319 -1.531 374 HB3 HIS 53 1HB HIS 53 5.460 -4.992 -0.415 375 HD1 HIS 53 HD1 HIS 53 7.543 -5.615 -3.555 376 HD2 HIS 53 HD2 HIS 53 5.505 -2.563 -1.610 377 HE1 HIS 53 HE1 HIS 53 7.627 -3.655 -5.113 378 HE2 HIS 53 HE2 HIS 53 6.522 -1.778 -3.855 379 HA PRO 54 HA PRO 54 7.342 -6.713 3.822 380 HB2 PRO 54 2HB PRO 54 6.247 -4.626 5.172 381 HB3 PRO 54 1HB PRO 54 7.948 -4.678 4.695 382 HG2 PRO 54 2HG PRO 54 5.653 -3.283 3.356 383 HG3 PRO 54 1HG PRO 54 7.289 -2.679 3.688 384 HD2 PRO 54 2HD PRO 54 6.548 -3.606 1.253 385 HD3 PRO 54 1HD PRO 54 8.201 -3.793 1.876 386 H ASN 55 H ASN 55 4.577 -5.231 2.229 387 HA ASN 55 HA ASN 55 2.328 -5.439 2.438 388 HB2 ASN 55 2HB ASN 55 3.221 -8.278 2.939 389 HB3 ASN 55 1HB ASN 55 1.525 -7.829 2.755 390 HD21 ASN 55 1HD2 ASN 55 1.225 -8.958 0.876 391 HD22 ASN 55 2HD2 ASN 55 1.944 -8.499 -0.625 392 HA PRO 56 HA PRO 56 2.189 -5.269 7.130 393 HB2 PRO 56 2HB PRO 56 1.814 -2.595 7.385 394 HB3 PRO 56 1HB PRO 56 3.424 -3.323 7.316 395 HG2 PRO 56 2HG PRO 56 1.871 -1.954 5.153 396 HG3 PRO 56 1HG PRO 56 3.597 -1.833 5.543 397 HD2 PRO 56 2HD PRO 56 2.611 -3.382 3.513 398 HD3 PRO 56 1HD PRO 56 4.117 -3.746 4.377 399 H CYS 57 H CYS 57 0.363 -4.380 4.409 400 HA CYS 57 HA CYS 57 -2.020 -3.509 5.817 401 HB2 CYS 57 2HB CYS 57 -2.045 -4.133 2.889 402 HB3 CYS 57 1HB CYS 57 -2.771 -2.781 3.755 403 HA PRO 58 HA PRO 58 -4.126 -7.304 6.563 404 HB2 PRO 58 2HB PRO 58 -6.321 -6.056 4.925 405 HB3 PRO 58 1HB PRO 58 -6.420 -6.911 6.471 406 HG2 PRO 58 2HG PRO 58 -6.473 -4.251 6.412 407 HG3 PRO 58 1HG PRO 58 -5.576 -5.110 7.678 408 HD2 PRO 58 2HD PRO 58 -4.554 -3.612 5.321 409 HD3 PRO 58 1HD PRO 58 -3.798 -3.878 6.905 410 HA PRO 59 HA PRO 59 -3.216 -9.963 3.064 411 HB2 PRO 59 2HB PRO 59 -5.395 -11.568 4.372 412 HB3 PRO 59 1HB PRO 59 -3.817 -12.097 3.770 413 HG2 PRO 59 2HG PRO 59 -4.181 -11.748 6.371 414 HG3 PRO 59 1HG PRO 59 -2.675 -11.210 5.603 415 HD2 PRO 59 2HD PRO 59 -5.006 -9.591 6.543 416 HD3 PRO 59 1HD PRO 59 -3.276 -9.193 6.555 417 H GLY 60 H GLY 60 -3.997 -9.930 1.026 418 HA2 GLY 60 2HA GLY 60 -5.821 -10.114 -0.564 419 HA3 GLY 60 1HA GLY 60 -6.877 -9.366 0.628 420 H TYR 61 H TYR 61 -4.424 -7.519 1.170 421 HA TYR 61 HA TYR 61 -4.747 -5.738 -1.172 422 HB2 TYR 61 2HB TYR 61 -4.187 -5.015 1.723 423 HB3 TYR 61 1HB TYR 61 -4.200 -3.865 0.391 424 HD1 TYR 61 HD2 TYR 61 -6.284 -5.992 2.556 425 HD2 TYR 61 HD1 TYR 61 -6.283 -3.123 -0.595 426 HE1 TYR 61 HE2 TYR 61 -8.698 -5.646 2.880 427 HE2 TYR 61 HE1 TYR 61 -8.693 -2.767 -0.274 428 HH TYR 61 HH TYR 61 -10.362 -3.781 2.439 429 H GLU 62 H GLU 62 -2.874 -4.673 -1.965 430 HA GLU 62 HA GLU 62 -0.300 -5.681 -0.924 431 HB2 GLU 62 2HB GLU 62 0.537 -5.770 -3.246 432 HB3 GLU 62 1HB GLU 62 -0.817 -6.860 -2.983 433 HG2 GLU 62 2HG GLU 62 -2.299 -5.078 -3.986 434 HG3 GLU 62 1HG GLU 62 -0.823 -4.228 -4.442 435 HA PRO 63 HA PRO 63 0.921 -1.441 -0.646 436 HB2 PRO 63 2HB PRO 63 3.717 -2.219 -1.140 437 HB3 PRO 63 1HB PRO 63 2.971 -1.595 0.334 438 HG2 PRO 63 2HG PRO 63 3.795 -4.156 0.126 439 HG3 PRO 63 1HG PRO 63 2.373 -3.695 1.084 440 HD2 PRO 63 2HD PRO 63 2.493 -4.864 -1.684 441 HD3 PRO 63 1HD PRO 63 1.418 -5.287 -0.332 442 H ASP 64 H ASP 64 0.532 -0.017 -2.202 443 HA ASP 64 HA ASP 64 1.680 -0.338 -4.877 444 HB2 ASP 64 2HB ASP 64 -0.759 0.146 -4.571 445 HB3 ASP 64 1HB ASP 64 -0.327 1.699 -3.863 446 H ASP 65 H ASP 65 3.418 0.810 -5.521 447 HA ASP 65 HA ASP 65 4.671 2.588 -3.613 448 HB2 ASP 65 2HB ASP 65 5.609 1.677 -6.345 449 HB3 ASP 65 1HB ASP 65 6.575 2.587 -5.188 450 H GLN 66 H GLN 66 4.575 4.709 -3.605 451 HA GLN 66 HA GLN 66 3.268 6.129 -5.808 452 HB2 GLN 66 2HB GLN 66 3.211 8.041 -4.230 453 HB3 GLN 66 1HB GLN 66 2.433 6.601 -3.585 454 HG2 GLN 66 2HG GLN 66 4.370 6.128 -2.208 455 HG3 GLN 66 1HG GLN 66 5.234 7.495 -2.906 456 HE21 GLN 66 1HE2 GLN 66 2.906 9.246 -2.888 457 HE22 GLN 66 2HE2 GLN 66 2.637 9.674 -1.240 458 H ASP 67 H ASP 67 4.271 7.558 -7.135 459 HA ASP 67 HA ASP 67 7.143 8.053 -6.726 460 HB2 ASP 67 2HB ASP 67 5.408 8.307 -9.196 461 HB3 ASP 67 1HB ASP 67 7.116 8.741 -9.134 462 H SER 68 H SER 68 5.161 9.450 -5.191 463 HA SER 68 HA SER 68 4.619 12.047 -6.127 464 HB2 SER 68 2HB SER 68 5.046 11.175 -3.251 465 HB3 SER 68 1HB SER 68 4.204 12.630 -3.784 466 HG SER 68 HG SER 68 2.553 11.287 -3.565 467 H CYS 69 H CYS 69 6.346 13.084 -7.048 468 HA CYS 69 HA CYS 69 8.957 13.185 -5.908 469 HB2 CYS 69 2HB CYS 69 9.414 14.901 -7.635 470 HB3 CYS 69 1HB CYS 69 8.646 13.465 -8.303 471 H VAL 70 H VAL 70 6.141 15.266 -5.691 472 HA VAL 70 HA VAL 70 7.553 17.379 -4.296 473 HB VAL 70 HB VAL 70 5.338 18.427 -4.042 474 HG11 VAL 70 1HG1 VAL 70 5.891 17.421 -6.834 475 HG12 VAL 70 2HG1 VAL 70 6.626 18.831 -6.071 476 HG13 VAL 70 3HG1 VAL 70 4.897 18.819 -6.421 477 HG21 VAL 70 3HG2 VAL 70 3.952 16.448 -3.753 478 HG22 VAL 70 1HG2 VAL 70 4.292 15.938 -5.407 479 HG23 VAL 70 2HG2 VAL 70 3.358 17.404 -5.110 480 H ASP 71 H ASP 71 7.160 18.024 -2.122 481 HA ASP 71 HA ASP 71 5.933 16.003 -0.359 482 HB2 ASP 71 2HB ASP 71 8.415 15.728 -0.385 483 HB3 ASP 71 1HB ASP 71 8.578 17.382 0.194 Start of MODEL 8 1 H1 SER 1 1H SER 1 3.510 4.651 -22.931 2 H2 SER 1 2H SER 1 2.138 5.574 -23.284 3 H3 SER 1 3H SER 1 2.860 5.682 -21.758 4 HA SER 1 HA SER 1 4.134 6.499 -24.310 5 HB2 SER 1 2HB SER 1 2.931 8.190 -22.097 6 HB3 SER 1 1HB SER 1 3.841 8.819 -23.470 7 HG SER 1 HG SER 1 1.684 8.957 -23.979 8 H ASP 2 H ASP 2 5.886 8.285 -23.581 9 HA ASP 2 HA ASP 2 7.794 6.712 -22.067 10 HB2 ASP 2 2HB ASP 2 9.452 8.317 -22.899 11 HB3 ASP 2 1HB ASP 2 8.451 7.696 -24.205 12 H VAL 3 H VAL 3 6.054 9.757 -21.634 13 HA VAL 3 HA VAL 3 6.988 9.848 -18.857 14 HB VAL 3 HB VAL 3 8.551 11.297 -20.099 15 HG11 VAL 3 1HG1 VAL 3 7.080 11.956 -21.937 16 HG12 VAL 3 2HG1 VAL 3 7.802 13.362 -21.157 17 HG13 VAL 3 3HG1 VAL 3 6.122 12.938 -20.827 18 HG21 VAL 3 3HG2 VAL 3 8.007 11.829 -17.769 19 HG22 VAL 3 1HG2 VAL 3 6.677 12.855 -18.306 20 HG23 VAL 3 2HG2 VAL 3 8.343 13.290 -18.697 21 H ASN 4 H ASN 4 5.556 10.809 -17.412 22 HA ASN 4 HA ASN 4 2.899 11.467 -18.518 23 HB2 ASN 4 2HB ASN 4 3.661 10.538 -15.739 24 HB3 ASN 4 1HB ASN 4 2.025 10.917 -16.263 25 HD21 ASN 4 1HD2 ASN 4 2.443 9.767 -18.930 26 HD22 ASN 4 2HD2 ASN 4 2.421 8.057 -18.704 27 H GLU 5 H GLU 5 1.613 12.918 -16.808 28 HA GLU 5 HA GLU 5 3.298 15.288 -16.244 29 HB2 GLU 5 2HB GLU 5 0.406 15.425 -17.106 30 HB3 GLU 5 1HB GLU 5 1.578 16.731 -17.038 31 HG2 GLU 5 2HG GLU 5 2.835 15.660 -18.870 32 HG3 GLU 5 1HG GLU 5 1.590 14.414 -18.960 33 H CYS 6 H CYS 6 2.145 16.868 -14.714 34 HA CYS 6 HA CYS 6 1.447 15.371 -12.323 35 HB2 CYS 6 2HB CYS 6 3.025 17.385 -12.415 36 HB3 CYS 6 1HB CYS 6 1.581 18.381 -12.571 37 H LEU 7 H LEU 7 -0.508 15.385 -14.483 38 HA LEU 7 HA LEU 7 -2.694 17.068 -13.569 39 HB2 LEU 7 2HB LEU 7 -3.862 16.421 -15.495 40 HB3 LEU 7 1HB LEU 7 -2.193 16.542 -16.013 41 HG LEU 7 HG LEU 7 -3.688 13.971 -15.428 42 HD11 LEU 7 1HD1 LEU 7 -2.768 15.148 -18.047 43 HD12 LEU 7 2HD1 LEU 7 -4.434 15.060 -17.474 44 HD13 LEU 7 3HD1 LEU 7 -3.545 13.579 -17.828 45 HD21 LEU 7 3HD2 LEU 7 -1.316 13.735 -14.894 46 HD22 LEU 7 1HD2 LEU 7 -0.887 14.350 -16.489 47 HD23 LEU 7 2HD2 LEU 7 -1.740 12.814 -16.336 48 H THR 8 H THR 8 -1.445 14.231 -12.488 49 HA THR 8 HA THR 8 -3.847 12.644 -12.242 50 HB THR 8 HB THR 8 -1.600 11.602 -12.510 51 HG1 THR 8 HG1 THR 8 -2.616 9.986 -11.635 52 HG21 THR 8 3HG2 THR 8 -0.139 11.417 -10.529 53 HG22 THR 8 1HG2 THR 8 -1.176 12.561 -9.676 54 HG23 THR 8 2HG2 THR 8 -0.275 13.081 -11.101 55 H ILE 9 H ILE 9 -4.272 11.643 -9.990 56 HA ILE 9 HA ILE 9 -4.824 13.846 -8.137 57 HB ILE 9 HB ILE 9 -5.889 11.010 -8.189 58 HG12 ILE 9 2HG1 ILE 9 -6.632 12.340 -10.126 59 HG13 ILE 9 1HG1 ILE 9 -7.970 11.996 -9.036 60 HG21 ILE 9 1HG2 ILE 9 -6.751 13.364 -6.505 61 HG22 ILE 9 2HG2 ILE 9 -5.930 11.913 -5.934 62 HG23 ILE 9 3HG2 ILE 9 -7.569 11.804 -6.579 63 HD11 ILE 9 3HD1 ILE 9 -7.811 14.254 -8.128 64 HD12 ILE 9 1HD1 ILE 9 -8.072 14.270 -9.871 65 HD13 ILE 9 2HD1 ILE 9 -6.467 14.600 -9.218 66 HA PRO 10 HA PRO 10 -1.692 12.330 -5.231 67 HB2 PRO 10 2HB PRO 10 -2.628 13.660 -3.016 68 HB3 PRO 10 1HB PRO 10 -1.645 14.423 -4.269 69 HG2 PRO 10 2HG PRO 10 -4.621 14.473 -3.909 70 HG3 PRO 10 1HG PRO 10 -3.521 15.805 -4.321 71 HD2 PRO 10 2HD PRO 10 -5.002 14.558 -6.195 72 HD3 PRO 10 1HD PRO 10 -3.366 15.154 -6.544 73 H GLU 11 H GLU 11 -2.752 10.186 -5.528 74 HA GLU 11 HA GLU 11 -4.989 9.414 -3.940 75 HB2 GLU 11 2HB GLU 11 -2.989 7.755 -5.481 76 HB3 GLU 11 1HB GLU 11 -4.461 7.124 -4.755 77 HG2 GLU 11 2HG GLU 11 -5.796 8.580 -6.204 78 HG3 GLU 11 1HG GLU 11 -4.315 9.198 -6.938 79 H ALA 12 H ALA 12 -1.535 9.293 -3.367 80 HA ALA 12 HA ALA 12 -1.791 7.227 -1.325 81 HB1 ALA 12 3HB ALA 12 0.659 8.719 -2.269 82 HB2 ALA 12 1HB ALA 12 0.100 7.161 -2.878 83 HB3 ALA 12 2HB ALA 12 0.641 7.311 -1.206 84 H CYS 13 H CYS 13 -0.500 7.575 0.745 85 HA CYS 13 HA CYS 13 -1.321 10.122 1.961 86 HB2 CYS 13 2HB CYS 13 -0.511 7.469 3.174 87 HB3 CYS 13 1HB CYS 13 -0.827 8.911 4.127 88 H LYS 14 H LYS 14 0.116 11.566 2.792 89 HA LYS 14 HA LYS 14 2.817 11.470 1.939 90 HB2 LYS 14 2HB LYS 14 1.678 13.582 2.172 91 HB3 LYS 14 1HB LYS 14 1.381 13.291 3.881 92 HG2 LYS 14 2HG LYS 14 3.806 13.419 4.307 93 HG3 LYS 14 1HG LYS 14 4.074 13.763 2.596 94 HD2 LYS 14 2HD LYS 14 2.825 15.821 2.754 95 HD3 LYS 14 1HD LYS 14 2.345 15.451 4.411 96 HE2 LYS 14 2HE LYS 14 4.715 15.560 5.097 97 HE3 LYS 14 1HE LYS 14 5.155 16.004 3.446 98 HZ1 LYS 14 3HZ LYS 14 3.312 17.559 5.178 99 HZ2 LYS 14 1HZ LYS 14 3.869 18.003 3.644 100 HZ3 LYS 14 2HZ LYS 14 4.946 17.923 4.944 101 H GLY 15 H GLY 15 4.469 10.385 2.825 102 HA2 GLY 15 2HA GLY 15 5.963 9.668 4.443 103 HA3 GLY 15 1HA GLY 15 4.971 10.445 5.663 104 H GLU 16 H GLU 16 2.981 8.434 3.904 105 HA GLU 16 HA GLU 16 3.539 6.068 5.566 106 HB2 GLU 16 2HB GLU 16 0.788 7.313 5.251 107 HB3 GLU 16 1HB GLU 16 1.152 5.822 6.114 108 HG2 GLU 16 2HG GLU 16 2.620 7.153 7.642 109 HG3 GLU 16 1HG GLU 16 2.039 8.609 6.841 110 H MET 17 H MET 17 2.242 4.103 4.759 111 HA MET 17 HA MET 17 2.881 4.027 1.905 112 HB2 MET 17 2HB MET 17 2.246 1.756 3.789 113 HB3 MET 17 1HB MET 17 2.867 1.599 2.153 114 HG2 MET 17 2HG MET 17 4.930 2.736 2.842 115 HG3 MET 17 1HG MET 17 4.307 2.846 4.490 116 HE1 MET 17 3HE MET 17 2.697 -0.154 4.198 117 HE2 MET 17 1HE MET 17 3.316 0.580 5.680 118 HE3 MET 17 2HE MET 17 3.826 -1.045 5.220 119 H LYS 18 H LYS 18 1.583 3.007 0.346 120 HA LYS 18 HA LYS 18 -1.308 3.349 0.827 121 HB2 LYS 18 2HB LYS 18 -0.391 4.910 -0.777 122 HB3 LYS 18 1HB LYS 18 0.362 3.605 -1.680 123 HG2 LYS 18 2HG LYS 18 -1.896 2.738 -2.237 124 HG3 LYS 18 1HG LYS 18 -2.591 4.143 -1.420 125 HD2 LYS 18 2HD LYS 18 -1.482 5.640 -2.975 126 HD3 LYS 18 1HD LYS 18 -0.666 4.278 -3.743 127 HE2 LYS 18 2HE LYS 18 -2.913 3.383 -4.378 128 HE3 LYS 18 1HE LYS 18 -3.628 4.874 -3.754 129 HZ1 LYS 18 3HZ LYS 18 -2.237 6.104 -5.347 130 HZ2 LYS 18 1HZ LYS 18 -3.307 5.044 -6.117 131 HZ3 LYS 18 2HZ LYS 18 -1.669 4.643 -5.977 132 H CYS 19 H CYS 19 -2.335 1.469 1.088 133 HA CYS 19 HA CYS 19 -1.526 -0.887 -0.504 134 HB2 CYS 19 2HB CYS 19 -3.284 -0.826 1.962 135 HB3 CYS 19 1HB CYS 19 -2.647 -2.256 1.154 136 H ILE 20 H ILE 20 -2.764 -1.237 -2.262 137 HA ILE 20 HA ILE 20 -5.667 -0.721 -2.091 138 HB ILE 20 HB ILE 20 -5.703 0.087 -4.405 139 HG12 ILE 20 2HG1 ILE 20 -2.673 0.076 -4.252 140 HG13 ILE 20 1HG1 ILE 20 -3.628 -1.098 -5.152 141 HG21 ILE 20 1HG2 ILE 20 -4.725 2.295 -4.027 142 HG22 ILE 20 2HG2 ILE 20 -3.807 1.661 -2.660 143 HG23 ILE 20 3HG2 ILE 20 -5.568 1.713 -2.592 144 HD11 ILE 20 3HD1 ILE 20 -4.485 0.690 -6.573 145 HD12 ILE 20 1HD1 ILE 20 -2.724 0.618 -6.610 146 HD13 ILE 20 2HD1 ILE 20 -3.536 1.869 -5.667 147 H ASN 21 H ASN 21 -6.946 -1.895 -3.698 148 HA ASN 21 HA ASN 21 -5.573 -4.216 -4.891 149 HB2 ASN 21 2HB ASN 21 -7.574 -5.605 -4.403 150 HB3 ASN 21 1HB ASN 21 -6.771 -5.036 -2.945 151 HD21 ASN 21 1HD2 ASN 21 -8.565 -5.211 -1.658 152 HD22 ASN 21 2HD2 ASN 21 -9.952 -4.195 -1.815 153 H HIS 22 H HIS 22 -6.822 -5.198 -6.719 154 HA HIS 22 HA HIS 22 -7.555 -3.169 -8.576 155 HB2 HIS 22 2HB HIS 22 -7.891 -6.170 -8.796 156 HB3 HIS 22 1HB HIS 22 -8.030 -5.027 -10.129 157 HD1 HIS 22 HD1 HIS 22 -5.535 -6.762 -7.973 158 HD2 HIS 22 HD2 HIS 22 -5.565 -3.982 -11.063 159 HE1 HIS 22 HE1 HIS 22 -3.149 -6.564 -8.723 160 HE2 HIS 22 HE2 HIS 22 -3.220 -5.018 -10.700 161 H TYR 23 H TYR 23 -9.350 -4.705 -6.167 162 HA TYR 23 HA TYR 23 -11.958 -4.615 -7.316 163 HB2 TYR 23 2HB TYR 23 -11.599 -5.997 -5.390 164 HB3 TYR 23 1HB TYR 23 -10.963 -4.651 -4.458 165 HD1 TYR 23 HD1 TYR 23 -14.051 -6.098 -5.907 166 HD2 TYR 23 HD2 TYR 23 -12.421 -3.201 -3.240 167 HE1 TYR 23 HE1 TYR 23 -16.286 -5.697 -4.976 168 HE2 TYR 23 HE2 TYR 23 -14.656 -2.796 -2.307 169 HH TYR 23 HH TYR 23 -17.295 -4.858 -2.920 170 H GLY 24 H GLY 24 -9.904 -2.235 -5.750 171 HA2 GLY 24 2HA GLY 24 -10.332 0.117 -6.325 172 HA3 GLY 24 1HA GLY 24 -12.044 -0.209 -6.115 173 H GLY 25 H GLY 25 -10.215 -1.777 -3.768 174 HA2 GLY 25 2HA GLY 25 -11.083 0.043 -1.683 175 HA3 GLY 25 1HA GLY 25 -10.286 -1.507 -1.460 176 H TYR 26 H TYR 26 -9.829 1.315 -0.404 177 HA TYR 26 HA TYR 26 -6.938 1.455 -0.967 178 HB2 TYR 26 2HB TYR 26 -7.895 3.239 -2.222 179 HB3 TYR 26 1HB TYR 26 -8.958 3.700 -0.899 180 HD1 TYR 26 HD2 TYR 26 -5.471 3.789 -2.129 181 HD2 TYR 26 HD1 TYR 26 -8.197 5.167 0.847 182 HE1 TYR 26 HE2 TYR 26 -3.824 5.458 -1.393 183 HE2 TYR 26 HE1 TYR 26 -6.555 6.838 1.577 184 HH TYR 26 HH TYR 26 -3.897 7.707 -0.207 185 H LEU 27 H LEU 27 -5.725 1.314 0.818 186 HA LEU 27 HA LEU 27 -6.655 2.491 3.352 187 HB2 LEU 27 2HB LEU 27 -5.545 -0.309 3.049 188 HB3 LEU 27 1HB LEU 27 -5.762 0.507 4.585 189 HG LEU 27 HG LEU 27 -7.994 -0.244 2.685 190 HD11 LEU 27 1HD1 LEU 27 -8.566 -1.931 4.361 191 HD12 LEU 27 2HD1 LEU 27 -7.148 -1.477 5.310 192 HD13 LEU 27 3HD1 LEU 27 -6.947 -2.200 3.712 193 HD21 LEU 27 3HD2 LEU 27 -8.085 0.906 5.480 194 HD22 LEU 27 1HD2 LEU 27 -9.476 0.385 4.530 195 HD23 LEU 27 2HD2 LEU 27 -8.511 1.761 3.996 196 H CYS 28 H CYS 28 -5.025 3.522 4.497 197 HA CYS 28 HA CYS 28 -2.291 3.270 3.424 198 HB2 CYS 28 2HB CYS 28 -3.633 5.475 4.979 199 HB3 CYS 28 1HB CYS 28 -1.880 5.383 4.849 200 H LEU 29 H LEU 29 -0.600 2.593 4.635 201 HA LEU 29 HA LEU 29 -1.189 1.707 7.396 202 HB2 LEU 29 2HB LEU 29 0.764 0.556 5.389 203 HB3 LEU 29 1HB LEU 29 0.609 0.014 7.049 204 HG LEU 29 HG LEU 29 -1.473 -0.238 4.871 205 HD11 LEU 29 1HD1 LEU 29 0.099 -2.317 6.391 206 HD12 LEU 29 2HD1 LEU 29 0.355 -1.845 4.711 207 HD13 LEU 29 3HD1 LEU 29 -1.150 -2.635 5.186 208 HD21 LEU 29 3HD2 LEU 29 -2.823 -1.435 6.530 209 HD22 LEU 29 1HD2 LEU 29 -2.575 0.251 6.983 210 HD23 LEU 29 2HD2 LEU 29 -1.650 -1.023 7.781 211 HA PRO 30 HA PRO 30 1.899 4.394 9.057 212 HB2 PRO 30 2HB PRO 30 3.046 2.752 10.963 213 HB3 PRO 30 1HB PRO 30 1.516 3.610 11.168 214 HG2 PRO 30 2HG PRO 30 1.998 0.763 10.367 215 HG3 PRO 30 1HG PRO 30 0.796 1.419 11.494 216 HD2 PRO 30 2HD PRO 30 0.116 0.714 9.000 217 HD3 PRO 30 1HD PRO 30 -0.604 2.142 9.776 218 H ARG 31 H ARG 31 4.062 4.925 8.849 219 HA ARG 31 HA ARG 31 5.591 3.421 6.952 220 HB2 ARG 31 2HB ARG 31 5.570 5.900 7.058 221 HB3 ARG 31 1HB ARG 31 6.420 5.829 8.595 222 HG2 ARG 31 2HG ARG 31 8.346 4.809 7.509 223 HG3 ARG 31 1HG ARG 31 7.485 4.795 5.970 224 HD2 ARG 31 2HD ARG 31 7.461 7.186 5.880 225 HD3 ARG 31 1HD ARG 31 8.083 7.308 7.526 226 HE ARG 31 HE ARG 31 10.207 6.736 6.752 227 HH11 ARG 31 1HH1 ARG 31 7.908 6.686 4.179 228 HH12 ARG 31 2HH1 ARG 31 9.124 6.692 2.956 229 HH21 ARG 31 1HH2 ARG 31 11.747 6.752 5.184 230 HH22 ARG 31 2HH2 ARG 31 11.276 6.747 3.515 231 H SER 32 H SER 32 5.134 2.731 10.082 232 HA SER 32 HA SER 32 7.676 2.136 11.111 233 HB2 SER 32 2HB SER 32 5.078 0.636 11.576 234 HB3 SER 32 1HB SER 32 6.516 0.556 12.595 235 HG SER 32 HG SER 32 6.200 2.959 12.743 236 H ALA 33 H ALA 33 5.728 0.534 8.714 237 HA ALA 33 HA ALA 33 7.490 -1.780 8.559 238 HB1 ALA 33 3HB ALA 33 6.022 -2.529 6.759 239 HB2 ALA 33 1HB ALA 33 5.162 -0.989 6.803 240 HB3 ALA 33 2HB ALA 33 5.089 -2.079 8.187 241 H ALA 34 H ALA 34 8.958 -2.175 6.907 242 HA ALA 34 HA ALA 34 9.975 0.199 5.566 243 HB1 ALA 34 3HB ALA 34 11.122 -2.594 5.633 244 HB2 ALA 34 1HB ALA 34 11.510 -1.301 6.768 245 HB3 ALA 34 2HB ALA 34 11.936 -1.136 5.066 246 H VAL 35 H VAL 35 10.225 0.475 3.347 247 HA VAL 35 HA VAL 35 8.538 -1.252 1.661 248 HB VAL 35 HB VAL 35 8.504 0.578 0.037 249 HG11 VAL 35 1HG1 VAL 35 7.235 2.218 1.364 250 HG12 VAL 35 2HG1 VAL 35 7.848 1.480 2.844 251 HG13 VAL 35 3HG1 VAL 35 6.798 0.559 1.768 252 HG21 VAL 35 3HG2 VAL 35 10.206 2.107 2.014 253 HG22 VAL 35 1HG2 VAL 35 9.526 2.742 0.517 254 HG23 VAL 35 2HG2 VAL 35 10.755 1.479 0.460 255 H ILE 36 H ILE 36 11.677 -1.208 2.449 256 HA ILE 36 HA ILE 36 12.995 -1.307 -0.077 257 HB ILE 36 HB ILE 36 14.842 -2.500 1.265 258 HG12 ILE 36 2HG1 ILE 36 14.673 -2.059 3.763 259 HG13 ILE 36 1HG1 ILE 36 12.958 -1.767 3.526 260 HG21 ILE 36 1HG2 ILE 36 15.558 -0.399 2.297 261 HG22 ILE 36 2HG2 ILE 36 13.933 0.255 2.092 262 HG23 ILE 36 3HG2 ILE 36 14.908 -0.145 0.677 263 HD11 ILE 36 3HD1 ILE 36 12.687 -4.063 2.733 264 HD12 ILE 36 1HD1 ILE 36 13.363 -3.997 4.360 265 HD13 ILE 36 2HD1 ILE 36 14.409 -4.344 2.984 266 H ASN 37 H ASN 37 14.192 -3.291 -0.878 267 HA ASN 37 HA ASN 37 12.324 -5.310 -1.529 268 HB2 ASN 37 2HB ASN 37 14.260 -4.667 -2.961 269 HB3 ASN 37 1HB ASN 37 15.336 -5.451 -1.807 270 HD21 ASN 37 1HD2 ASN 37 15.239 -7.729 -1.592 271 HD22 ASN 37 2HD2 ASN 37 14.602 -8.709 -2.862 272 H ASP 38 H ASP 38 11.549 -6.196 0.417 273 HA ASP 38 HA ASP 38 13.354 -8.199 1.608 274 HB2 ASP 38 2HB ASP 38 12.958 -6.316 3.188 275 HB3 ASP 38 1HB ASP 38 11.227 -6.632 3.100 276 H LEU 39 H LEU 39 12.209 -10.093 2.487 277 HA LEU 39 HA LEU 39 10.077 -10.857 0.656 278 HB2 LEU 39 2HB LEU 39 11.649 -12.494 2.652 279 HB3 LEU 39 1HB LEU 39 10.461 -13.142 1.537 280 HG LEU 39 HG LEU 39 12.575 -13.614 0.579 281 HD11 LEU 39 1HD1 LEU 39 11.526 -11.136 -0.792 282 HD12 LEU 39 2HD1 LEU 39 10.927 -12.779 -1.023 283 HD13 LEU 39 3HD1 LEU 39 12.569 -12.363 -1.512 284 HD21 LEU 39 3HD2 LEU 39 13.342 -10.719 0.974 285 HD22 LEU 39 1HD2 LEU 39 14.333 -11.968 0.219 286 HD23 LEU 39 2HD2 LEU 39 13.927 -12.078 1.933 287 H HIS 40 H HIS 40 7.998 -11.379 1.225 288 HA HIS 40 HA HIS 40 6.962 -10.140 3.550 289 HB2 HIS 40 2HB HIS 40 5.692 -10.326 1.459 290 HB3 HIS 40 1HB HIS 40 5.604 -12.074 1.657 291 HD1 HIS 40 HD1 HIS 40 3.620 -12.927 2.882 292 HD2 HIS 40 HD2 HIS 40 4.317 -8.906 3.648 293 HE1 HIS 40 HE1 HIS 40 1.672 -12.158 4.266 294 HE2 HIS 40 HE2 HIS 40 2.050 -9.694 4.603 295 H GLY 41 H GLY 41 7.314 -13.594 2.700 296 HA2 GLY 41 2HA GLY 41 7.805 -15.331 4.200 297 HA3 GLY 41 1HA GLY 41 7.475 -14.248 5.542 298 H GLU 42 H GLU 42 6.171 -16.587 3.363 299 HA GLU 42 HA GLU 42 3.429 -16.211 4.292 300 HB2 GLU 42 2HB GLU 42 4.666 -18.036 2.227 301 HB3 GLU 42 1HB GLU 42 2.977 -18.151 2.697 302 HG2 GLU 42 2HG GLU 42 3.234 -16.880 0.642 303 HG3 GLU 42 1HG GLU 42 2.590 -15.870 1.931 304 H GLY 43 H GLY 43 5.971 -17.608 5.699 305 HA2 GLY 43 2HA GLY 43 5.115 -18.893 7.778 306 HA3 GLY 43 1HA GLY 43 4.579 -20.062 6.583 307 HA PRO 44 HA PRO 44 8.621 -21.992 6.462 308 HB2 PRO 44 2HB PRO 44 8.780 -21.569 3.524 309 HB3 PRO 44 1HB PRO 44 8.811 -23.078 4.445 310 HG2 PRO 44 2HG PRO 44 6.661 -22.391 3.023 311 HG3 PRO 44 1HG PRO 44 6.495 -23.178 4.604 312 HD2 PRO 44 2HD PRO 44 6.191 -20.277 3.891 313 HD3 PRO 44 1HD PRO 44 5.190 -21.285 4.960 314 HA PRO 45 HA PRO 45 11.998 -19.024 6.175 315 HB2 PRO 45 2HB PRO 45 13.885 -20.418 4.682 316 HB3 PRO 45 1HB PRO 45 13.664 -20.559 6.428 317 HG2 PRO 45 2HG PRO 45 12.633 -22.319 4.235 318 HG3 PRO 45 1HG PRO 45 13.288 -22.769 5.822 319 HD2 PRO 45 2HD PRO 45 10.651 -22.785 5.353 320 HD3 PRO 45 1HD PRO 45 11.297 -22.258 6.923 321 HA PRO 46 HA PRO 46 10.447 -17.005 2.469 322 HB2 PRO 46 2HB PRO 46 12.724 -15.186 3.185 323 HB3 PRO 46 1HB PRO 46 11.059 -14.785 2.740 324 HG2 PRO 46 2HG PRO 46 11.791 -14.722 5.282 325 HG3 PRO 46 1HG PRO 46 10.216 -15.405 4.829 326 HD2 PRO 46 2HD PRO 46 12.728 -16.803 5.646 327 HD3 PRO 46 1HD PRO 46 11.038 -17.234 5.978 328 HA PRO 47 HA PRO 47 13.507 -18.427 -0.599 329 HB2 PRO 47 2HB PRO 47 11.837 -18.262 -2.732 330 HB3 PRO 47 1HB PRO 47 11.800 -19.616 -1.596 331 HG2 PRO 47 2HG PRO 47 10.028 -17.195 -1.716 332 HG3 PRO 47 1HG PRO 47 9.585 -18.894 -1.456 333 HD2 PRO 47 2HD PRO 47 9.802 -17.112 0.585 334 HD3 PRO 47 1HD PRO 47 10.166 -18.840 0.780 335 H VAL 48 H VAL 48 14.520 -17.405 -2.466 336 HA VAL 48 HA VAL 48 14.279 -14.463 -2.333 337 HB VAL 48 HB VAL 48 16.703 -16.112 -3.088 338 HG11 VAL 48 1HG1 VAL 48 16.444 -13.137 -2.625 339 HG12 VAL 48 2HG1 VAL 48 16.646 -13.918 -4.193 340 HG13 VAL 48 3HG1 VAL 48 17.932 -14.011 -2.991 341 HG21 VAL 48 3HG2 VAL 48 17.629 -15.397 -0.938 342 HG22 VAL 48 1HG2 VAL 48 16.151 -16.335 -0.712 343 HG23 VAL 48 2HG2 VAL 48 16.117 -14.577 -0.549 344 HA PRO 49 HA PRO 49 13.493 -14.804 -6.814 345 HB2 PRO 49 2HB PRO 49 11.764 -12.784 -7.007 346 HB3 PRO 49 1HB PRO 49 11.275 -14.317 -6.272 347 HG2 PRO 49 2HG PRO 49 12.010 -11.733 -4.955 348 HG3 PRO 49 1HG PRO 49 10.741 -12.893 -4.521 349 HD2 PRO 49 2HD PRO 49 13.281 -12.723 -3.345 350 HD3 PRO 49 1HD PRO 49 12.165 -14.096 -3.211 351 HA PRO 50 HA PRO 50 16.335 -11.679 -8.272 352 HB2 PRO 50 2HB PRO 50 15.223 -10.824 -10.621 353 HB3 PRO 50 1HB PRO 50 16.020 -12.391 -10.437 354 HG2 PRO 50 2HG PRO 50 13.091 -11.735 -10.334 355 HG3 PRO 50 1HG PRO 50 13.907 -13.066 -11.179 356 HD2 PRO 50 2HD PRO 50 12.671 -13.449 -8.824 357 HD3 PRO 50 1HD PRO 50 14.172 -14.309 -9.231 358 H ALA 51 H ALA 51 13.024 -10.767 -7.779 359 HA ALA 51 HA ALA 51 13.755 -8.233 -6.666 360 HB1 ALA 51 3HB ALA 51 12.110 -8.203 -9.210 361 HB2 ALA 51 1HB ALA 51 13.756 -7.595 -9.035 362 HB3 ALA 51 2HB ALA 51 12.434 -6.811 -8.172 363 H GLN 52 H GLN 52 12.073 -7.396 -5.330 364 HA GLN 52 HA GLN 52 9.401 -8.422 -5.463 365 HB2 GLN 52 2HB GLN 52 10.671 -10.384 -4.539 366 HB3 GLN 52 1HB GLN 52 11.087 -9.397 -3.146 367 HG2 GLN 52 2HG GLN 52 9.232 -10.859 -2.623 368 HG3 GLN 52 1HG GLN 52 8.712 -9.175 -2.589 369 HE21 GLN 52 1HE2 GLN 52 9.234 -10.938 -5.567 370 HE22 GLN 52 2HE2 GLN 52 7.573 -11.034 -6.021 371 H HIS 53 H HIS 53 7.962 -7.455 -4.000 372 HA HIS 53 HA HIS 53 9.034 -5.266 -2.343 373 HB2 HIS 53 2HB HIS 53 6.273 -5.826 -3.444 374 HB3 HIS 53 1HB HIS 53 6.560 -4.606 -2.210 375 HD1 HIS 53 HD1 HIS 53 7.772 -5.417 -5.732 376 HD2 HIS 53 HD2 HIS 53 7.108 -2.157 -3.239 377 HE1 HIS 53 HE1 HIS 53 8.209 -3.390 -7.141 378 HE2 HIS 53 HE2 HIS 53 7.550 -1.451 -5.684 379 HA PRO 54 HA PRO 54 8.414 -7.532 1.410 380 HB2 PRO 54 2HB PRO 54 7.600 -5.497 3.091 381 HB3 PRO 54 1HB PRO 54 9.278 -5.796 2.628 382 HG2 PRO 54 2HG PRO 54 7.323 -3.830 1.489 383 HG3 PRO 54 1HG PRO 54 9.038 -3.603 1.887 384 HD2 PRO 54 2HD PRO 54 8.240 -3.995 -0.643 385 HD3 PRO 54 1HD PRO 54 9.756 -4.700 -0.042 386 H ASN 55 H ASN 55 5.814 -5.542 0.172 387 HA ASN 55 HA ASN 55 3.557 -5.534 0.414 388 HB2 ASN 55 2HB ASN 55 4.132 -8.495 0.617 389 HB3 ASN 55 1HB ASN 55 2.500 -7.838 0.497 390 HD21 ASN 55 1HD2 ASN 55 2.172 -8.885 -1.463 391 HD22 ASN 55 2HD2 ASN 55 2.908 -8.343 -2.929 392 HA PRO 56 HA PRO 56 3.755 -5.736 5.158 393 HB2 PRO 56 2HB PRO 56 2.992 -2.891 4.715 394 HB3 PRO 56 1HB PRO 56 4.130 -3.582 5.877 395 HG2 PRO 56 2HG PRO 56 5.023 -2.272 3.742 396 HG3 PRO 56 1HG PRO 56 5.841 -3.747 4.299 397 HD2 PRO 56 2HD PRO 56 3.920 -3.391 2.017 398 HD3 PRO 56 1HD PRO 56 5.425 -4.335 2.084 399 H CYS 57 H CYS 57 1.618 -4.853 2.625 400 HA CYS 57 HA CYS 57 -0.754 -4.616 4.286 401 HB2 CYS 57 2HB CYS 57 -0.801 -4.836 1.285 402 HB3 CYS 57 1HB CYS 57 -1.855 -3.904 2.345 403 HA PRO 58 HA PRO 58 -1.597 -8.985 4.129 404 HB2 PRO 58 2HB PRO 58 -4.193 -8.987 4.905 405 HB3 PRO 58 1HB PRO 58 -2.868 -8.617 6.017 406 HG2 PRO 58 2HG PRO 58 -4.683 -6.734 4.543 407 HG3 PRO 58 1HG PRO 58 -4.183 -6.697 6.246 408 HD2 PRO 58 2HD PRO 58 -3.022 -5.134 4.358 409 HD3 PRO 58 1HD PRO 58 -2.122 -5.769 5.752 410 HA PRO 59 HA PRO 59 -3.083 -10.151 0.088 411 HB2 PRO 59 2HB PRO 59 -4.558 -12.249 1.655 412 HB3 PRO 59 1HB PRO 59 -3.611 -12.419 0.171 413 HG2 PRO 59 2HG PRO 59 -2.563 -13.122 2.506 414 HG3 PRO 59 1HG PRO 59 -1.578 -12.281 1.296 415 HD2 PRO 59 2HD PRO 59 -2.730 -11.245 3.840 416 HD3 PRO 59 1HD PRO 59 -1.241 -10.770 2.999 417 H GLY 60 H GLY 60 -4.754 -9.425 -1.124 418 HA2 GLY 60 2HA GLY 60 -7.106 -8.914 -1.474 419 HA3 GLY 60 1HA GLY 60 -7.268 -8.700 0.267 420 H TYR 61 H TYR 61 -4.689 -7.276 0.393 421 HA TYR 61 HA TYR 61 -5.107 -4.864 -1.232 422 HB2 TYR 61 2HB TYR 61 -4.639 -4.935 1.762 423 HB3 TYR 61 1HB TYR 61 -4.352 -3.498 0.785 424 HD1 TYR 61 HD2 TYR 61 -6.943 -5.749 2.144 425 HD2 TYR 61 HD1 TYR 61 -6.184 -2.190 -0.073 426 HE1 TYR 61 HE2 TYR 61 -9.301 -5.096 2.389 427 HE2 TYR 61 HE1 TYR 61 -8.537 -1.534 0.170 428 HH TYR 61 HH TYR 61 -10.690 -3.157 2.311 429 H GLU 62 H GLU 62 -3.286 -4.362 -2.300 430 HA GLU 62 HA GLU 62 -0.721 -5.429 -1.291 431 HB2 GLU 62 2HB GLU 62 -0.040 -5.719 -3.636 432 HB3 GLU 62 1HB GLU 62 -1.488 -6.643 -3.262 433 HG2 GLU 62 2HG GLU 62 -2.818 -4.738 -4.267 434 HG3 GLU 62 1HG GLU 62 -1.285 -4.095 -4.849 435 HA PRO 63 HA PRO 63 0.929 -1.351 -1.270 436 HB2 PRO 63 2HB PRO 63 3.524 -1.762 -2.032 437 HB3 PRO 63 1HB PRO 63 2.897 -2.194 -0.438 438 HG2 PRO 63 2HG PRO 63 3.301 -3.937 -2.848 439 HG3 PRO 63 1HG PRO 63 3.710 -4.262 -1.151 440 HD2 PRO 63 2HD PRO 63 1.490 -5.283 -2.287 441 HD3 PRO 63 1HD PRO 63 1.512 -4.768 -0.587 442 H ASP 64 H ASP 64 1.029 0.394 -2.578 443 HA ASP 64 HA ASP 64 1.308 -0.058 -5.494 444 HB2 ASP 64 2HB ASP 64 -0.923 0.715 -4.935 445 HB3 ASP 64 1HB ASP 64 -0.270 2.050 -3.992 446 H ASP 65 H ASP 65 2.940 0.962 -6.538 447 HA ASP 65 HA ASP 65 4.476 2.989 -5.055 448 HB2 ASP 65 2HB ASP 65 5.276 1.382 -7.496 449 HB3 ASP 65 1HB ASP 65 6.303 2.524 -6.638 450 H GLN 66 H GLN 66 3.558 4.955 -5.495 451 HA GLN 66 HA GLN 66 3.830 5.810 -8.306 452 HB2 GLN 66 2HB GLN 66 2.293 7.726 -7.713 453 HB3 GLN 66 1HB GLN 66 1.552 6.137 -7.787 454 HG2 GLN 66 2HG GLN 66 1.621 6.016 -5.324 455 HG3 GLN 66 1HG GLN 66 2.290 7.649 -5.286 456 HE21 GLN 66 1HE2 GLN 66 0.659 8.568 -7.527 457 HE22 GLN 66 2HE2 GLN 66 -0.944 8.742 -6.921 458 H ASP 67 H ASP 67 5.744 6.716 -8.561 459 HA ASP 67 HA ASP 67 7.342 7.631 -6.418 460 HB2 ASP 67 2HB ASP 67 7.767 8.191 -9.361 461 HB3 ASP 67 1HB ASP 67 8.992 8.142 -8.093 462 H SER 68 H SER 68 6.201 9.567 -9.222 463 HA SER 68 HA SER 68 5.292 11.687 -7.494 464 HB2 SER 68 2HB SER 68 6.807 13.414 -8.154 465 HB3 SER 68 1HB SER 68 7.812 12.046 -7.672 466 HG SER 68 HG SER 68 8.438 11.768 -9.694 467 H CYS 69 H CYS 69 5.021 13.764 -9.133 468 HA CYS 69 HA CYS 69 2.931 13.090 -10.878 469 HB2 CYS 69 2HB CYS 69 4.505 15.562 -10.335 470 HB3 CYS 69 1HB CYS 69 3.515 15.526 -11.788 471 H VAL 70 H VAL 70 6.375 13.302 -11.509 472 HA VAL 70 HA VAL 70 5.857 12.791 -14.363 473 HB VAL 70 HB VAL 70 7.658 14.317 -15.041 474 HG11 VAL 70 1HG1 VAL 70 5.359 15.140 -15.046 475 HG12 VAL 70 2HG1 VAL 70 6.486 16.436 -14.643 476 HG13 VAL 70 3HG1 VAL 70 5.530 15.670 -13.374 477 HG21 VAL 70 3HG2 VAL 70 9.002 14.283 -12.998 478 HG22 VAL 70 1HG2 VAL 70 7.731 15.145 -12.132 479 HG23 VAL 70 2HG2 VAL 70 8.594 15.938 -13.449 480 H ASP 71 H ASP 71 7.551 11.777 -15.523 481 HA ASP 71 HA ASP 71 9.150 9.924 -14.019 482 HB2 ASP 71 2HB ASP 71 9.017 10.504 -16.990 483 HB3 ASP 71 1HB ASP 71 9.892 9.156 -16.269 Start of MODEL 9 1 H1 SER 1 1H SER 1 -0.673 1.942 -16.344 2 H2 SER 1 2H SER 1 -1.957 3.034 -16.240 3 H3 SER 1 3H SER 1 -0.860 2.901 -14.960 4 HA SER 1 HA SER 1 -0.256 3.903 -17.690 5 HB2 SER 1 2HB SER 1 -0.459 5.362 -15.039 6 HB3 SER 1 1HB SER 1 0.121 6.085 -16.539 7 HG SER 1 HG SER 1 -1.883 6.459 -16.990 8 H ASP 2 H ASP 2 1.750 3.349 -18.244 9 HA ASP 2 HA ASP 2 3.732 2.506 -16.382 10 HB2 ASP 2 2HB ASP 2 5.229 2.699 -18.515 11 HB3 ASP 2 1HB ASP 2 3.944 1.497 -18.463 12 H VAL 3 H VAL 3 3.875 5.319 -18.619 13 HA VAL 3 HA VAL 3 5.774 6.628 -16.810 14 HB VAL 3 HB VAL 3 4.845 7.439 -19.582 15 HG11 VAL 3 1HG1 VAL 3 7.037 8.598 -17.850 16 HG12 VAL 3 2HG1 VAL 3 5.521 9.388 -18.283 17 HG13 VAL 3 3HG1 VAL 3 6.718 9.034 -19.529 18 HG21 VAL 3 3HG2 VAL 3 7.436 6.177 -18.662 19 HG22 VAL 3 1HG2 VAL 3 7.073 6.707 -20.306 20 HG23 VAL 3 2HG2 VAL 3 6.163 5.379 -19.587 21 H ASN 4 H ASN 4 4.955 7.839 -15.242 22 HA ASN 4 HA ASN 4 2.746 9.691 -15.849 23 HB2 ASN 4 2HB ASN 4 1.840 7.769 -14.584 24 HB3 ASN 4 1HB ASN 4 3.017 8.056 -13.306 25 HD21 ASN 4 1HD2 ASN 4 1.389 8.350 -11.791 26 HD22 ASN 4 2HD2 ASN 4 0.439 9.791 -11.743 27 H GLU 5 H GLU 5 2.663 11.574 -14.408 28 HA GLU 5 HA GLU 5 5.283 12.260 -13.220 29 HB2 GLU 5 2HB GLU 5 3.635 14.136 -14.931 30 HB3 GLU 5 1HB GLU 5 5.228 14.445 -14.256 31 HG2 GLU 5 2HG GLU 5 6.190 12.732 -15.699 32 HG3 GLU 5 1HG GLU 5 4.590 12.366 -16.345 33 H CYS 6 H CYS 6 4.826 14.773 -12.327 34 HA CYS 6 HA CYS 6 3.025 14.310 -10.104 35 HB2 CYS 6 2HB CYS 6 4.785 16.688 -10.762 36 HB3 CYS 6 1HB CYS 6 3.905 16.469 -9.251 37 H LEU 7 H LEU 7 1.910 14.825 -12.882 38 HA LEU 7 HA LEU 7 0.481 17.352 -12.512 39 HB2 LEU 7 2HB LEU 7 -0.130 17.258 -14.762 40 HB3 LEU 7 1HB LEU 7 1.492 16.600 -14.740 41 HG LEU 7 HG LEU 7 -1.033 14.927 -14.883 42 HD11 LEU 7 1HD1 LEU 7 -0.755 16.253 -16.905 43 HD12 LEU 7 2HD1 LEU 7 -0.432 14.549 -17.224 44 HD13 LEU 7 3HD1 LEU 7 0.908 15.685 -17.067 45 HD21 LEU 7 3HD2 LEU 7 0.484 13.097 -15.479 46 HD22 LEU 7 1HD2 LEU 7 0.819 13.722 -13.865 47 HD23 LEU 7 2HD2 LEU 7 1.867 14.158 -15.214 48 H THR 8 H THR 8 -0.010 14.075 -11.833 49 HA THR 8 HA THR 8 -2.836 13.955 -12.416 50 HB THR 8 HB THR 8 -1.484 11.933 -12.629 51 HG1 THR 8 HG1 THR 8 -3.078 10.687 -11.886 52 HG21 THR 8 3HG2 THR 8 -0.597 10.775 -10.661 53 HG22 THR 8 1HG2 THR 8 -1.130 12.099 -9.626 54 HG23 THR 8 2HG2 THR 8 0.134 12.371 -10.825 55 H ILE 9 H ILE 9 -4.229 12.897 -10.556 56 HA ILE 9 HA ILE 9 -4.350 14.887 -8.433 57 HB ILE 9 HB ILE 9 -6.249 12.651 -9.186 58 HG12 ILE 9 2HG1 ILE 9 -6.146 14.413 -10.876 59 HG13 ILE 9 1HG1 ILE 9 -7.683 14.498 -10.020 60 HG21 ILE 9 1HG2 ILE 9 -6.613 14.859 -7.156 61 HG22 ILE 9 2HG2 ILE 9 -6.451 13.138 -6.810 62 HG23 ILE 9 3HG2 ILE 9 -7.866 13.730 -7.678 63 HD11 ILE 9 3HD1 ILE 9 -6.844 16.363 -8.693 64 HD12 ILE 9 1HD1 ILE 9 -6.752 16.707 -10.419 65 HD13 ILE 9 2HD1 ILE 9 -5.294 16.266 -9.530 66 HA PRO 10 HA PRO 10 -2.309 12.206 -5.509 67 HB2 PRO 10 2HB PRO 10 -2.996 13.491 -3.203 68 HB3 PRO 10 1HB PRO 10 -1.765 14.095 -4.319 69 HG2 PRO 10 2HG PRO 10 -4.647 14.903 -4.061 70 HG3 PRO 10 1HG PRO 10 -3.210 15.928 -4.252 71 HD2 PRO 10 2HD PRO 10 -4.829 15.333 -6.329 72 HD3 PRO 10 1HD PRO 10 -3.076 15.539 -6.531 73 H GLU 11 H GLU 11 -4.009 10.525 -6.175 74 HA GLU 11 HA GLU 11 -5.995 9.996 -4.118 75 HB2 GLU 11 2HB GLU 11 -5.177 8.471 -6.593 76 HB3 GLU 11 1HB GLU 11 -6.349 7.849 -5.438 77 HG2 GLU 11 2HG GLU 11 -7.717 9.903 -5.815 78 HG3 GLU 11 1HG GLU 11 -6.585 10.365 -7.083 79 H ALA 12 H ALA 12 -2.803 9.786 -4.057 80 HA ALA 12 HA ALA 12 -2.721 7.346 -2.401 81 HB1 ALA 12 3HB ALA 12 -0.450 8.978 -3.553 82 HB2 ALA 12 1HB ALA 12 -1.028 7.427 -4.160 83 HB3 ALA 12 2HB ALA 12 -0.269 7.524 -2.571 84 H CYS 13 H CYS 13 -1.176 7.618 -0.423 85 HA CYS 13 HA CYS 13 -1.951 10.091 0.967 86 HB2 CYS 13 2HB CYS 13 -1.036 7.408 2.013 87 HB3 CYS 13 1HB CYS 13 -1.218 8.824 3.045 88 H LYS 14 H LYS 14 -0.519 11.519 1.773 89 HA LYS 14 HA LYS 14 2.134 11.527 0.657 90 HB2 LYS 14 2HB LYS 14 0.838 13.569 0.719 91 HB3 LYS 14 1HB LYS 14 0.671 13.460 2.465 92 HG2 LYS 14 2HG LYS 14 3.101 13.789 2.699 93 HG3 LYS 14 1HG LYS 14 3.232 13.950 0.945 94 HD2 LYS 14 2HD LYS 14 1.804 15.915 0.983 95 HD3 LYS 14 1HD LYS 14 1.536 15.723 2.716 96 HE2 LYS 14 2HE LYS 14 3.940 16.102 3.110 97 HE3 LYS 14 1HE LYS 14 4.174 16.328 1.375 98 HZ1 LYS 14 3HZ LYS 14 2.767 18.251 1.431 99 HZ2 LYS 14 1HZ LYS 14 3.962 18.426 2.608 100 HZ3 LYS 14 2HZ LYS 14 2.390 18.003 3.060 101 H GLY 15 H GLY 15 3.964 10.790 1.604 102 HA2 GLY 15 2HA GLY 15 5.569 10.519 3.262 103 HA3 GLY 15 1HA GLY 15 4.449 11.204 4.428 104 H GLU 16 H GLU 16 2.504 9.036 3.310 105 HA GLU 16 HA GLU 16 3.505 6.824 4.991 106 HB2 GLU 16 2HB GLU 16 0.658 7.823 4.690 107 HB3 GLU 16 1HB GLU 16 1.132 6.393 5.604 108 HG2 GLU 16 2HG GLU 16 2.385 7.731 7.160 109 HG3 GLU 16 1HG GLU 16 2.131 9.177 6.187 110 H MET 17 H MET 17 2.408 4.655 4.426 111 HA MET 17 HA MET 17 2.859 4.364 1.554 112 HB2 MET 17 2HB MET 17 2.538 2.247 3.691 113 HB3 MET 17 1HB MET 17 2.974 1.945 2.017 114 HG2 MET 17 2HG MET 17 5.011 3.356 2.389 115 HG3 MET 17 1HG MET 17 4.595 3.376 4.103 116 HE1 MET 17 3HE MET 17 3.269 0.318 4.141 117 HE2 MET 17 1HE MET 17 4.184 1.029 5.474 118 HE3 MET 17 2HE MET 17 4.643 -0.548 4.828 119 H LYS 18 H LYS 18 1.480 3.351 0.123 120 HA LYS 18 HA LYS 18 -1.358 3.374 0.912 121 HB2 LYS 18 2HB LYS 18 -0.762 4.960 -0.843 122 HB3 LYS 18 1HB LYS 18 -0.053 3.672 -1.804 123 HG2 LYS 18 2HG LYS 18 -2.224 2.670 -2.152 124 HG3 LYS 18 1HG LYS 18 -2.975 3.851 -1.074 125 HD2 LYS 18 2HD LYS 18 -2.430 5.654 -2.593 126 HD3 LYS 18 1HD LYS 18 -1.521 4.556 -3.634 127 HE2 LYS 18 2HE LYS 18 -3.546 3.367 -4.206 128 HE3 LYS 18 1HE LYS 18 -4.480 4.333 -3.066 129 HZ1 LYS 18 3HZ LYS 18 -4.102 6.269 -4.386 130 HZ2 LYS 18 1HZ LYS 18 -4.708 5.055 -5.392 131 HZ3 LYS 18 2HZ LYS 18 -3.063 5.434 -5.427 132 H CYS 19 H CYS 19 -2.247 1.447 1.252 133 HA CYS 19 HA CYS 19 -1.353 -0.896 -0.307 134 HB2 CYS 19 2HB CYS 19 -2.656 -0.627 2.386 135 HB3 CYS 19 1HB CYS 19 -2.860 -2.115 1.470 136 H ILE 20 H ILE 20 -2.517 -1.154 -2.087 137 HA ILE 20 HA ILE 20 -5.461 -1.100 -1.861 138 HB ILE 20 HB ILE 20 -5.621 -0.234 -4.177 139 HG12 ILE 20 2HG1 ILE 20 -2.655 0.355 -3.908 140 HG13 ILE 20 1HG1 ILE 20 -3.325 -0.943 -4.890 141 HG21 ILE 20 1HG2 ILE 20 -4.139 1.595 -2.290 142 HG22 ILE 20 2HG2 ILE 20 -5.873 1.277 -2.276 143 HG23 ILE 20 3HG2 ILE 20 -5.139 2.098 -3.653 144 HD11 ILE 20 3HD1 ILE 20 -3.864 1.991 -5.288 145 HD12 ILE 20 1HD1 ILE 20 -4.445 0.673 -6.304 146 HD13 ILE 20 2HD1 ILE 20 -2.718 1.023 -6.210 147 H ASN 21 H ASN 21 -6.544 -2.419 -3.537 148 HA ASN 21 HA ASN 21 -4.767 -4.481 -4.685 149 HB2 ASN 21 2HB ASN 21 -6.598 -6.141 -4.321 150 HB3 ASN 21 1HB ASN 21 -5.900 -5.513 -2.834 151 HD21 ASN 21 1HD2 ASN 21 -7.695 -6.000 -1.618 152 HD22 ASN 21 2HD2 ASN 21 -9.189 -5.144 -1.764 153 H HIS 22 H HIS 22 -5.765 -5.653 -6.557 154 HA HIS 22 HA HIS 22 -6.579 -3.867 -8.557 155 HB2 HIS 22 2HB HIS 22 -6.572 -6.870 -8.368 156 HB3 HIS 22 1HB HIS 22 -7.238 -6.066 -9.786 157 HD1 HIS 22 HD1 HIS 22 -3.952 -6.258 -7.858 158 HD2 HIS 22 HD2 HIS 22 -5.389 -5.367 -11.655 159 HE1 HIS 22 HE1 HIS 22 -1.921 -5.947 -9.291 160 HE2 HIS 22 HE2 HIS 22 -2.822 -5.157 -11.499 161 H TYR 23 H TYR 23 -8.449 -5.522 -6.177 162 HA TYR 23 HA TYR 23 -10.976 -5.376 -7.494 163 HB2 TYR 23 2HB TYR 23 -10.599 -6.965 -5.684 164 HB3 TYR 23 1HB TYR 23 -10.297 -5.647 -4.554 165 HD1 TYR 23 HD1 TYR 23 -12.942 -6.966 -6.845 166 HD2 TYR 23 HD2 TYR 23 -12.057 -4.828 -3.267 167 HE1 TYR 23 HE1 TYR 23 -15.341 -6.866 -6.315 168 HE2 TYR 23 HE2 TYR 23 -14.450 -4.729 -2.729 169 HH TYR 23 HH TYR 23 -16.796 -6.572 -4.371 170 H GLY 24 H GLY 24 -9.106 -3.077 -5.628 171 HA2 GLY 24 2HA GLY 24 -9.622 -0.725 -6.128 172 HA3 GLY 24 1HA GLY 24 -11.319 -1.131 -5.970 173 H GLY 25 H GLY 25 -9.787 -2.754 -3.520 174 HA2 GLY 25 2HA GLY 25 -10.772 -1.078 -1.461 175 HA3 GLY 25 1HA GLY 25 -9.672 -2.429 -1.242 176 H TYR 26 H TYR 26 -9.879 0.558 -0.300 177 HA TYR 26 HA TYR 26 -7.097 1.335 -0.955 178 HB2 TYR 26 2HB TYR 26 -8.768 2.878 -1.877 179 HB3 TYR 26 1HB TYR 26 -9.457 3.113 -0.278 180 HD1 TYR 26 HD1 TYR 26 -8.252 4.473 1.410 181 HD2 TYR 26 HD2 TYR 26 -6.708 3.972 -2.525 182 HE1 TYR 26 HE1 TYR 26 -6.719 6.361 1.775 183 HE2 TYR 26 HE2 TYR 26 -5.174 5.855 -2.162 184 HH TYR 26 HH TYR 26 -4.572 7.189 0.892 185 H LEU 27 H LEU 27 -5.691 1.307 0.683 186 HA LEU 27 HA LEU 27 -6.535 2.233 3.345 187 HB2 LEU 27 2HB LEU 27 -4.969 -0.300 2.804 188 HB3 LEU 27 1HB LEU 27 -5.062 0.463 4.381 189 HG LEU 27 HG LEU 27 -7.415 -0.665 2.845 190 HD11 LEU 27 1HD1 LEU 27 -5.905 -2.410 3.649 191 HD12 LEU 27 2HD1 LEU 27 -7.425 -2.419 4.541 192 HD13 LEU 27 3HD1 LEU 27 -5.975 -1.733 5.276 193 HD21 LEU 27 3HD2 LEU 27 -8.665 -0.294 4.925 194 HD22 LEU 27 1HD2 LEU 27 -8.057 1.220 4.258 195 HD23 LEU 27 2HD2 LEU 27 -7.249 0.479 5.640 196 H CYS 28 H CYS 28 -4.815 3.170 4.612 197 HA CYS 28 HA CYS 28 -2.223 3.510 3.233 198 HB2 CYS 28 2HB CYS 28 -3.878 5.672 4.539 199 HB3 CYS 28 1HB CYS 28 -2.156 5.859 4.224 200 H LEU 29 H LEU 29 -0.616 2.759 4.429 201 HA LEU 29 HA LEU 29 -1.043 2.229 7.272 202 HB2 LEU 29 2HB LEU 29 1.187 1.378 5.418 203 HB3 LEU 29 1HB LEU 29 1.001 0.856 7.082 204 HG LEU 29 HG LEU 29 -0.869 0.221 4.793 205 HD11 LEU 29 1HD1 LEU 29 -0.096 -2.065 5.080 206 HD12 LEU 29 2HD1 LEU 29 0.985 -1.559 6.377 207 HD13 LEU 29 3HD1 LEU 29 1.262 -0.995 4.730 208 HD21 LEU 29 3HD2 LEU 29 -2.047 -1.217 6.395 209 HD22 LEU 29 1HD2 LEU 29 -2.117 0.479 6.877 210 HD23 LEU 29 2HD2 LEU 29 -1.008 -0.624 7.692 211 HA PRO 30 HA PRO 30 1.555 5.504 8.810 212 HB2 PRO 30 2HB PRO 30 2.692 4.214 10.966 213 HB3 PRO 30 1HB PRO 30 1.058 4.887 10.962 214 HG2 PRO 30 2HG PRO 30 1.941 2.058 10.504 215 HG3 PRO 30 1HG PRO 30 0.585 2.666 11.474 216 HD2 PRO 30 2HD PRO 30 0.191 1.650 9.025 217 HD3 PRO 30 1HD PRO 30 -0.751 3.041 9.605 218 H ARG 31 H ARG 31 3.699 6.212 8.775 219 HA ARG 31 HA ARG 31 5.425 4.793 7.003 220 HB2 ARG 31 2HB ARG 31 5.225 7.289 7.174 221 HB3 ARG 31 1HB ARG 31 6.105 7.209 8.694 222 HG2 ARG 31 2HG ARG 31 8.064 6.339 7.565 223 HG3 ARG 31 1HG ARG 31 7.184 6.266 6.036 224 HD2 ARG 31 2HD ARG 31 6.865 8.750 6.199 225 HD3 ARG 31 1HD ARG 31 7.938 8.737 7.599 226 HE ARG 31 HE ARG 31 9.729 8.065 6.156 227 HH11 ARG 31 1HH1 ARG 31 6.829 8.901 4.508 228 HH12 ARG 31 2HH1 ARG 31 7.641 9.272 3.029 229 HH21 ARG 31 1HH2 ARG 31 10.771 8.528 4.254 230 HH22 ARG 31 2HH2 ARG 31 9.859 9.064 2.885 231 H SER 32 H SER 32 4.999 4.514 10.346 232 HA SER 32 HA SER 32 7.643 3.776 11.115 233 HB2 SER 32 2HB SER 32 6.550 2.764 13.110 234 HB3 SER 32 1HB SER 32 6.039 4.425 12.812 235 HG SER 32 HG SER 32 4.072 3.725 12.655 236 H ALA 33 H ALA 33 5.428 2.230 9.119 237 HA ALA 33 HA ALA 33 6.302 -0.489 9.668 238 HB1 ALA 33 3HB ALA 33 4.857 -1.094 7.769 239 HB2 ALA 33 1HB ALA 33 4.579 0.616 7.441 240 HB3 ALA 33 2HB ALA 33 4.001 -0.098 8.946 241 H ALA 34 H ALA 34 7.370 -1.819 7.995 242 HA ALA 34 HA ALA 34 9.625 -0.335 6.933 243 HB1 ALA 34 3HB ALA 34 10.627 -2.520 6.525 244 HB2 ALA 34 1HB ALA 34 9.104 -3.308 6.939 245 HB3 ALA 34 2HB ALA 34 9.998 -2.413 8.169 246 H VAL 35 H VAL 35 9.751 0.398 4.927 247 HA VAL 35 HA VAL 35 7.816 -0.331 2.912 248 HB VAL 35 HB VAL 35 8.799 1.418 1.554 249 HG11 VAL 35 1HG1 VAL 35 8.589 3.353 3.083 250 HG12 VAL 35 2HG1 VAL 35 8.608 2.244 4.455 251 HG13 VAL 35 3HG1 VAL 35 7.291 2.178 3.285 252 HG21 VAL 35 3HG2 VAL 35 11.005 1.519 3.620 253 HG22 VAL 35 1HG2 VAL 35 10.796 2.673 2.302 254 HG23 VAL 35 2HG2 VAL 35 11.155 0.984 1.948 255 H ILE 36 H ILE 36 10.861 -1.484 3.778 256 HA ILE 36 HA ILE 36 11.775 -2.087 1.091 257 HB ILE 36 HB ILE 36 13.749 -3.146 2.321 258 HG12 ILE 36 2HG1 ILE 36 14.072 -2.194 4.667 259 HG13 ILE 36 1HG1 ILE 36 12.357 -1.821 4.671 260 HG21 ILE 36 1HG2 ILE 36 14.775 -0.968 2.750 261 HG22 ILE 36 2HG2 ILE 36 13.184 -0.207 2.692 262 HG23 ILE 36 3HG2 ILE 36 13.852 -0.973 1.249 263 HD11 ILE 36 3HD1 ILE 36 12.880 -3.883 5.871 264 HD12 ILE 36 1HD1 ILE 36 13.537 -4.576 4.390 265 HD13 ILE 36 2HD1 ILE 36 11.821 -4.178 4.493 266 H ASN 37 H ASN 37 12.699 -4.269 0.645 267 HA ASN 37 HA ASN 37 10.739 -6.224 0.558 268 HB2 ASN 37 2HB ASN 37 12.661 -7.764 -0.055 269 HB3 ASN 37 1HB ASN 37 12.528 -6.291 -1.010 270 HD21 ASN 37 1HD2 ASN 37 14.440 -8.055 1.245 271 HD22 ASN 37 2HD2 ASN 37 15.796 -6.989 1.253 272 H ASP 38 H ASP 38 9.893 -7.506 2.081 273 HA ASP 38 HA ASP 38 11.584 -8.659 4.155 274 HB2 ASP 38 2HB ASP 38 10.853 -6.550 5.153 275 HB3 ASP 38 1HB ASP 38 9.172 -6.942 4.798 276 H LEU 39 H LEU 39 10.809 -10.567 5.016 277 HA LEU 39 HA LEU 39 8.096 -11.445 4.552 278 HB2 LEU 39 2HB LEU 39 8.830 -13.582 3.438 279 HB3 LEU 39 1HB LEU 39 8.930 -12.138 2.453 280 HG LEU 39 HG LEU 39 11.429 -12.089 3.041 281 HD11 LEU 39 1HD1 LEU 39 12.433 -14.265 3.609 282 HD12 LEU 39 2HD1 LEU 39 10.820 -14.918 3.899 283 HD13 LEU 39 3HD1 LEU 39 11.440 -13.616 4.913 284 HD21 LEU 39 3HD2 LEU 39 10.330 -14.356 1.374 285 HD22 LEU 39 1HD2 LEU 39 11.971 -13.715 1.282 286 HD23 LEU 39 2HD2 LEU 39 10.602 -12.697 0.840 287 H HIS 40 H HIS 40 7.645 -13.559 5.635 288 HA HIS 40 HA HIS 40 9.597 -14.240 7.716 289 HB2 HIS 40 2HB HIS 40 6.743 -13.390 8.234 290 HB3 HIS 40 1HB HIS 40 7.725 -14.247 9.418 291 HD1 HIS 40 HD1 HIS 40 6.956 -10.905 8.201 292 HD2 HIS 40 HD2 HIS 40 10.112 -12.726 10.203 293 HE1 HIS 40 HE1 HIS 40 8.270 -9.033 9.232 294 HE2 HIS 40 HE2 HIS 40 10.132 -10.154 10.498 295 H GLY 41 H GLY 41 8.372 -16.035 9.181 296 HA2 GLY 41 2HA GLY 41 6.764 -17.994 8.588 297 HA3 GLY 41 1HA GLY 41 7.914 -18.230 7.275 298 H GLU 42 H GLU 42 8.339 -20.368 8.211 299 HA GLU 42 HA GLU 42 10.590 -20.179 10.041 300 HB2 GLU 42 2HB GLU 42 8.594 -20.485 11.520 301 HB3 GLU 42 1HB GLU 42 8.286 -22.022 10.719 302 HG2 GLU 42 2HG GLU 42 9.446 -22.292 12.871 303 HG3 GLU 42 1HG GLU 42 10.394 -22.905 11.517 304 H GLY 43 H GLY 43 12.176 -21.530 9.451 305 HA2 GLY 43 2HA GLY 43 13.209 -23.403 8.527 306 HA3 GLY 43 1HA GLY 43 11.628 -24.030 8.084 307 HA PRO 44 HA PRO 44 13.249 -22.669 4.060 308 HB2 PRO 44 2HB PRO 44 12.040 -24.525 2.551 309 HB3 PRO 44 1HB PRO 44 13.438 -24.920 3.558 310 HG2 PRO 44 2HG PRO 44 10.535 -25.439 4.058 311 HG3 PRO 44 1HG PRO 44 11.934 -26.478 4.388 312 HD2 PRO 44 2HD PRO 44 10.643 -24.889 6.269 313 HD3 PRO 44 1HD PRO 44 12.297 -25.513 6.427 314 HA PRO 45 HA PRO 45 9.454 -20.334 3.018 315 HB2 PRO 45 2HB PRO 45 11.261 -18.562 1.560 316 HB3 PRO 45 1HB PRO 45 10.292 -18.215 2.993 317 HG2 PRO 45 2HG PRO 45 13.007 -18.345 3.044 318 HG3 PRO 45 1HG PRO 45 11.994 -18.765 4.438 319 HD2 PRO 45 2HD PRO 45 13.296 -20.584 2.429 320 HD3 PRO 45 1HD PRO 45 13.214 -20.740 4.200 321 HA PRO 46 HA PRO 46 8.768 -21.623 -1.221 322 HB2 PRO 46 2HB PRO 46 7.586 -19.417 -2.365 323 HB3 PRO 46 1HB PRO 46 6.743 -20.538 -1.290 324 HG2 PRO 46 2HG PRO 46 8.005 -17.892 -0.650 325 HG3 PRO 46 1HG PRO 46 6.431 -18.531 -0.136 326 HD2 PRO 46 2HD PRO 46 8.548 -18.572 1.506 327 HD3 PRO 46 1HD PRO 46 7.381 -19.910 1.484 328 HA PRO 47 HA PRO 47 12.209 -20.048 -3.587 329 HB2 PRO 47 2HB PRO 47 11.926 -21.459 -5.836 330 HB3 PRO 47 1HB PRO 47 12.257 -22.265 -4.296 331 HG2 PRO 47 2HG PRO 47 9.653 -21.951 -5.750 332 HG3 PRO 47 1HG PRO 47 10.311 -23.383 -4.935 333 HD2 PRO 47 2HD PRO 47 8.461 -21.656 -3.815 334 HD3 PRO 47 1HD PRO 47 9.546 -22.706 -2.883 335 H VAL 48 H VAL 48 9.368 -18.713 -3.888 336 HA VAL 48 HA VAL 48 10.025 -17.221 -6.335 337 HB VAL 48 HB VAL 48 7.609 -17.104 -6.912 338 HG11 VAL 48 1HG1 VAL 48 8.725 -19.911 -6.780 339 HG12 VAL 48 2HG1 VAL 48 9.064 -18.718 -8.036 340 HG13 VAL 48 3HG1 VAL 48 7.432 -19.360 -7.847 341 HG21 VAL 48 3HG2 VAL 48 6.041 -18.708 -5.909 342 HG22 VAL 48 1HG2 VAL 48 6.651 -17.570 -4.709 343 HG23 VAL 48 2HG2 VAL 48 7.286 -19.215 -4.767 344 HA PRO 49 HA PRO 49 9.161 -13.847 -3.449 345 HB2 PRO 49 2HB PRO 49 10.085 -11.838 -4.995 346 HB3 PRO 49 1HB PRO 49 11.173 -12.956 -4.165 347 HG2 PRO 49 2HG PRO 49 10.309 -12.935 -7.033 348 HG3 PRO 49 1HG PRO 49 11.916 -13.242 -6.350 349 HD2 PRO 49 2HD PRO 49 10.185 -15.221 -7.168 350 HD3 PRO 49 1HD PRO 49 11.451 -15.451 -5.946 351 HA PRO 50 HA PRO 50 5.124 -12.856 -5.276 352 HB2 PRO 50 2HB PRO 50 4.203 -11.376 -3.166 353 HB3 PRO 50 1HB PRO 50 4.195 -13.143 -3.193 354 HG2 PRO 50 2HG PRO 50 6.163 -11.277 -1.907 355 HG3 PRO 50 1HG PRO 50 5.442 -12.762 -1.257 356 HD2 PRO 50 2HD PRO 50 7.940 -12.712 -2.285 357 HD3 PRO 50 1HD PRO 50 6.886 -14.134 -2.449 358 H ALA 51 H ALA 51 7.212 -10.456 -3.716 359 HA ALA 51 HA ALA 51 7.074 -8.674 -5.947 360 HB1 ALA 51 3HB ALA 51 6.057 -6.763 -4.783 361 HB2 ALA 51 1HB ALA 51 5.733 -7.786 -3.382 362 HB3 ALA 51 2HB ALA 51 4.926 -8.110 -4.917 363 H GLN 52 H GLN 52 8.345 -6.611 -5.472 364 HA GLN 52 HA GLN 52 10.692 -7.248 -3.890 365 HB2 GLN 52 2HB GLN 52 9.988 -4.800 -5.526 366 HB3 GLN 52 1HB GLN 52 11.535 -5.052 -4.726 367 HG2 GLN 52 2HG GLN 52 11.914 -7.052 -6.098 368 HG3 GLN 52 1HG GLN 52 10.372 -6.780 -6.910 369 HE21 GLN 52 1HE2 GLN 52 11.370 -6.581 -8.912 370 HE22 GLN 52 2HE2 GLN 52 12.285 -5.183 -9.351 371 H HIS 53 H HIS 53 7.724 -5.773 -3.309 372 HA HIS 53 HA HIS 53 8.741 -4.370 -0.930 373 HB2 HIS 53 2HB HIS 53 6.154 -4.104 -2.466 374 HB3 HIS 53 1HB HIS 53 6.374 -3.399 -0.867 375 HD1 HIS 53 HD1 HIS 53 7.385 -2.986 -4.432 376 HD2 HIS 53 HD2 HIS 53 8.102 -1.173 -0.768 377 HE1 HIS 53 HE1 HIS 53 8.533 -0.829 -4.972 378 HE2 HIS 53 HE2 HIS 53 8.791 0.328 -2.756 379 HA PRO 54 HA PRO 54 7.606 -7.393 1.882 380 HB2 PRO 54 2HB PRO 54 6.508 -6.041 3.987 381 HB3 PRO 54 1HB PRO 54 8.226 -5.997 3.576 382 HG2 PRO 54 2HG PRO 54 6.069 -4.028 2.893 383 HG3 PRO 54 1HG PRO 54 7.706 -3.723 3.508 384 HD2 PRO 54 2HD PRO 54 7.110 -3.445 0.905 385 HD3 PRO 54 1HD PRO 54 8.685 -4.078 1.431 386 H ASN 55 H ASN 55 4.814 -5.519 0.832 387 HA ASN 55 HA ASN 55 2.555 -5.700 1.198 388 HB2 ASN 55 2HB ASN 55 3.364 -8.616 1.168 389 HB3 ASN 55 1HB ASN 55 1.684 -8.117 1.313 390 HD21 ASN 55 1HD2 ASN 55 0.620 -7.349 -0.460 391 HD22 ASN 55 2HD2 ASN 55 1.294 -7.365 -2.049 392 HA PRO 56 HA PRO 56 3.361 -6.268 5.814 393 HB2 PRO 56 2HB PRO 56 3.102 -3.690 6.583 394 HB3 PRO 56 1HB PRO 56 4.616 -4.335 5.938 395 HG2 PRO 56 2HG PRO 56 2.509 -2.717 4.558 396 HG3 PRO 56 1HG PRO 56 4.274 -2.568 4.467 397 HD2 PRO 56 2HD PRO 56 2.762 -3.834 2.567 398 HD3 PRO 56 1HD PRO 56 4.456 -4.246 2.903 399 H CYS 57 H CYS 57 0.814 -4.862 3.948 400 HA CYS 57 HA CYS 57 -1.059 -4.728 6.177 401 HB2 CYS 57 2HB CYS 57 -2.660 -4.132 4.190 402 HB3 CYS 57 1HB CYS 57 -1.453 -2.966 4.718 403 HA PRO 58 HA PRO 58 -2.815 -8.727 6.200 404 HB2 PRO 58 2HB PRO 58 -5.432 -7.371 5.618 405 HB3 PRO 58 1HB PRO 58 -5.049 -8.597 6.836 406 HG2 PRO 58 2HG PRO 58 -5.252 -6.050 7.546 407 HG3 PRO 58 1HG PRO 58 -3.961 -7.062 8.222 408 HD2 PRO 58 2HD PRO 58 -3.803 -4.934 6.135 409 HD3 PRO 58 1HD PRO 58 -2.613 -5.399 7.366 410 HA PRO 59 HA PRO 59 -2.935 -10.426 2.094 411 HB2 PRO 59 2HB PRO 59 -5.029 -12.207 3.302 412 HB3 PRO 59 1HB PRO 59 -3.625 -12.632 2.315 413 HG2 PRO 59 2HG PRO 59 -3.550 -12.983 4.945 414 HG3 PRO 59 1HG PRO 59 -2.131 -12.358 4.080 415 HD2 PRO 59 2HD PRO 59 -4.081 -10.909 5.819 416 HD3 PRO 59 1HD PRO 59 -2.341 -10.631 5.595 417 H GLY 60 H GLY 60 -4.057 -10.034 0.259 418 HA2 GLY 60 2HA GLY 60 -6.204 -9.872 -0.915 419 HA3 GLY 60 1HA GLY 60 -6.854 -9.091 0.519 420 H TYR 61 H TYR 61 -4.065 -7.667 0.581 421 HA TYR 61 HA TYR 61 -4.658 -5.644 -1.494 422 HB2 TYR 61 2HB TYR 61 -3.553 -5.208 1.295 423 HB3 TYR 61 1HB TYR 61 -3.662 -3.958 0.062 424 HD1 TYR 61 HD2 TYR 61 -5.626 -6.153 2.290 425 HD2 TYR 61 HD1 TYR 61 -5.739 -2.861 -0.411 426 HE1 TYR 61 HE2 TYR 61 -7.904 -5.621 3.042 427 HE2 TYR 61 HE1 TYR 61 -8.018 -2.322 0.335 428 HH TYR 61 HH TYR 61 -9.436 -3.774 3.110 429 H GLU 62 H GLU 62 -2.750 -4.331 -2.151 430 HA GLU 62 HA GLU 62 -0.163 -5.679 -1.828 431 HB2 GLU 62 2HB GLU 62 0.290 -5.426 -4.260 432 HB3 GLU 62 1HB GLU 62 -1.040 -6.527 -3.928 433 HG2 GLU 62 2HG GLU 62 -2.624 -4.679 -4.438 434 HG3 GLU 62 1HG GLU 62 -1.248 -3.677 -4.892 435 HA PRO 63 HA PRO 63 1.321 -1.549 -1.259 436 HB2 PRO 63 2HB PRO 63 3.931 -1.789 -1.917 437 HB3 PRO 63 1HB PRO 63 3.249 -2.563 -0.482 438 HG2 PRO 63 2HG PRO 63 3.838 -3.750 -3.171 439 HG3 PRO 63 1HG PRO 63 4.169 -4.416 -1.560 440 HD2 PRO 63 2HD PRO 63 2.024 -5.165 -3.066 441 HD3 PRO 63 1HD PRO 63 2.011 -5.176 -1.291 442 H ASP 64 H ASP 64 1.031 0.239 -2.434 443 HA ASP 64 HA ASP 64 1.381 0.133 -5.341 444 HB2 ASP 64 2HB ASP 64 -0.780 0.911 -4.412 445 HB3 ASP 64 1HB ASP 64 0.052 2.245 -3.617 446 H ASP 65 H ASP 65 2.804 1.404 -6.457 447 HA ASP 65 HA ASP 65 4.883 2.719 -4.889 448 HB2 ASP 65 2HB ASP 65 4.710 2.044 -7.835 449 HB3 ASP 65 1HB ASP 65 6.089 2.834 -7.072 450 H GLN 66 H GLN 66 4.662 4.766 -4.411 451 HA GLN 66 HA GLN 66 3.129 6.554 -6.171 452 HB2 GLN 66 2HB GLN 66 3.043 8.021 -4.101 453 HB3 GLN 66 1HB GLN 66 2.178 6.494 -4.007 454 HG2 GLN 66 2HG GLN 66 4.061 5.513 -2.764 455 HG3 GLN 66 1HG GLN 66 4.897 7.063 -2.825 456 HE21 GLN 66 1HE2 GLN 66 2.565 8.669 -2.374 457 HE22 GLN 66 2HE2 GLN 66 2.099 8.433 -0.729 458 H ASP 67 H ASP 67 4.552 7.393 -7.618 459 HA ASP 67 HA ASP 67 7.094 8.522 -6.728 460 HB2 ASP 67 2HB ASP 67 5.858 8.369 -9.493 461 HB3 ASP 67 1HB ASP 67 7.489 8.930 -9.132 462 H SER 68 H SER 68 6.782 10.452 -5.668 463 HA SER 68 HA SER 68 5.318 12.566 -7.133 464 HB2 SER 68 2HB SER 68 4.601 13.527 -4.981 465 HB3 SER 68 1HB SER 68 4.006 11.879 -5.169 466 HG SER 68 HG SER 68 6.185 12.777 -3.579 467 H CYS 69 H CYS 69 6.757 13.965 -7.875 468 HA CYS 69 HA CYS 69 9.337 14.405 -6.761 469 HB2 CYS 69 2HB CYS 69 9.499 16.243 -8.398 470 HB3 CYS 69 1HB CYS 69 8.878 14.771 -9.135 471 H VAL 70 H VAL 70 6.247 15.705 -6.020 472 HA VAL 70 HA VAL 70 7.411 17.999 -4.587 473 HB VAL 70 HB VAL 70 5.111 18.871 -4.424 474 HG11 VAL 70 1HG1 VAL 70 5.918 18.098 -7.234 475 HG12 VAL 70 2HG1 VAL 70 6.484 19.508 -6.337 476 HG13 VAL 70 3HG1 VAL 70 4.788 19.385 -6.808 477 HG21 VAL 70 3HG2 VAL 70 3.885 16.750 -4.377 478 HG22 VAL 70 1HG2 VAL 70 4.337 16.439 -6.054 479 HG23 VAL 70 2HG2 VAL 70 3.276 17.793 -5.662 480 H ASP 71 H ASP 71 7.064 18.333 -2.393 481 HA ASP 71 HA ASP 71 5.569 16.397 -0.821 482 HB2 ASP 71 2HB ASP 71 7.770 15.314 -1.126 483 HB3 ASP 71 1HB ASP 71 8.564 16.731 -0.447 Start of MODEL 10 1 H1 SER 1 1H SER 1 -6.449 0.341 -12.403 2 H2 SER 1 2H SER 1 -6.042 0.446 -10.766 3 H3 SER 1 3H SER 1 -5.282 -0.697 -11.755 4 HA SER 1 HA SER 1 -5.046 2.243 -12.040 5 HB2 SER 1 2HB SER 1 -3.907 1.425 -10.017 6 HB3 SER 1 1HB SER 1 -3.048 0.219 -10.973 7 HG SER 1 HG SER 1 -1.961 2.324 -10.448 8 H ASP 2 H ASP 2 -5.173 2.407 -14.247 9 HA ASP 2 HA ASP 2 -4.023 0.541 -16.063 10 HB2 ASP 2 2HB ASP 2 -4.996 3.378 -16.478 11 HB3 ASP 2 1HB ASP 2 -4.550 2.274 -17.777 12 H VAL 3 H VAL 3 -2.352 1.049 -17.673 13 HA VAL 3 HA VAL 3 0.051 2.067 -16.526 14 HB VAL 3 HB VAL 3 -0.554 1.454 -19.435 15 HG11 VAL 3 1HG1 VAL 3 1.422 2.889 -19.165 16 HG12 VAL 3 2HG1 VAL 3 1.867 1.277 -19.721 17 HG13 VAL 3 3HG1 VAL 3 2.112 1.727 -18.033 18 HG21 VAL 3 3HG2 VAL 3 -0.908 -0.492 -18.002 19 HG22 VAL 3 1HG2 VAL 3 0.696 -0.279 -17.296 20 HG23 VAL 3 2HG2 VAL 3 0.530 -0.707 -19.000 21 H ASN 4 H ASN 4 0.742 4.125 -16.404 22 HA ASN 4 HA ASN 4 0.224 6.057 -18.471 23 HB2 ASN 4 2HB ASN 4 -1.929 6.064 -17.190 24 HB3 ASN 4 1HB ASN 4 -1.033 6.538 -15.750 25 HD21 ASN 4 1HD2 ASN 4 -2.266 8.450 -15.615 26 HD22 ASN 4 2HD2 ASN 4 -1.980 9.778 -16.680 27 H GLU 5 H GLU 5 1.205 8.238 -17.887 28 HA GLU 5 HA GLU 5 3.815 7.843 -16.785 29 HB2 GLU 5 2HB GLU 5 2.506 10.497 -17.404 30 HB3 GLU 5 1HB GLU 5 4.225 10.154 -17.312 31 HG2 GLU 5 2HG GLU 5 4.030 8.717 -19.298 32 HG3 GLU 5 1HG GLU 5 2.312 9.113 -19.389 33 H CYS 6 H CYS 6 4.706 9.445 -15.110 34 HA CYS 6 HA CYS 6 3.106 9.179 -12.716 35 HB2 CYS 6 2HB CYS 6 5.096 10.062 -11.554 36 HB3 CYS 6 1HB CYS 6 5.474 8.700 -12.597 37 H LEU 7 H LEU 7 2.296 11.163 -14.854 38 HA LEU 7 HA LEU 7 2.502 13.723 -13.520 39 HB2 LEU 7 2HB LEU 7 1.419 14.664 -15.357 40 HB3 LEU 7 1HB LEU 7 2.337 13.349 -16.060 41 HG LEU 7 HG LEU 7 -0.623 13.221 -15.436 42 HD11 LEU 7 1HD1 LEU 7 -0.162 14.867 -17.176 43 HD12 LEU 7 2HD1 LEU 7 -0.981 13.450 -17.831 44 HD13 LEU 7 3HD1 LEU 7 0.752 13.659 -18.082 45 HD21 LEU 7 3HD2 LEU 7 -0.660 11.200 -16.714 46 HD22 LEU 7 1HD2 LEU 7 0.567 11.037 -15.460 47 HD23 LEU 7 2HD2 LEU 7 1.044 11.370 -17.125 48 H THR 8 H THR 8 0.792 11.040 -12.845 49 HA THR 8 HA THR 8 -1.859 11.855 -12.440 50 HB THR 8 HB THR 8 -1.309 9.508 -12.360 51 HG1 THR 8 HG1 THR 8 -1.986 9.889 -9.670 52 HG21 THR 8 3HG2 THR 8 -0.017 8.513 -10.536 53 HG22 THR 8 1HG2 THR 8 0.278 10.114 -9.856 54 HG23 THR 8 2HG2 THR 8 0.958 9.683 -11.426 55 H ILE 9 H ILE 9 -2.989 12.326 -10.467 56 HA ILE 9 HA ILE 9 -1.696 14.299 -8.836 57 HB ILE 9 HB ILE 9 -4.437 13.027 -8.576 58 HG12 ILE 9 2HG1 ILE 9 -4.173 14.202 -10.706 59 HG13 ILE 9 1HG1 ILE 9 -5.261 15.096 -9.653 60 HG21 ILE 9 1HG2 ILE 9 -5.032 14.964 -7.194 61 HG22 ILE 9 2HG2 ILE 9 -3.364 15.532 -7.271 62 HG23 ILE 9 3HG2 ILE 9 -3.742 14.012 -6.459 63 HD11 ILE 9 3HD1 ILE 9 -2.372 15.738 -10.193 64 HD12 ILE 9 1HD1 ILE 9 -3.424 16.625 -9.086 65 HD13 ILE 9 2HD1 ILE 9 -3.778 16.600 -10.815 66 HA PRO 10 HA PRO 10 -0.155 11.623 -5.550 67 HB2 PRO 10 2HB PRO 10 -0.779 13.974 -3.818 68 HB3 PRO 10 1HB PRO 10 0.726 13.060 -3.979 69 HG2 PRO 10 2HG PRO 10 0.490 15.473 -5.076 70 HG3 PRO 10 1HG PRO 10 1.347 14.173 -5.924 71 HD2 PRO 10 2HD PRO 10 -1.409 15.251 -6.398 72 HD3 PRO 10 1HD PRO 10 -0.184 14.727 -7.574 73 H GLU 11 H GLU 11 -2.251 10.411 -5.883 74 HA GLU 11 HA GLU 11 -4.425 10.940 -4.067 75 HB2 GLU 11 2HB GLU 11 -3.850 8.523 -5.795 76 HB3 GLU 11 1HB GLU 11 -5.354 8.822 -4.931 77 HG2 GLU 11 2HG GLU 11 -5.712 10.846 -6.273 78 HG3 GLU 11 1HG GLU 11 -4.219 10.515 -7.152 79 H ALA 12 H ALA 12 -1.424 9.707 -3.556 80 HA ALA 12 HA ALA 12 -2.184 7.773 -1.508 81 HB1 ALA 12 3HB ALA 12 0.552 8.785 -2.309 82 HB2 ALA 12 1HB ALA 12 -0.220 7.323 -2.924 83 HB3 ALA 12 2HB ALA 12 0.219 7.438 -1.219 84 H CYS 13 H CYS 13 -0.947 8.071 0.671 85 HA CYS 13 HA CYS 13 -1.518 10.792 1.623 86 HB2 CYS 13 2HB CYS 13 -1.061 8.194 3.117 87 HB3 CYS 13 1HB CYS 13 -1.318 9.744 3.903 88 H LYS 14 H LYS 14 0.046 12.112 2.529 89 HA LYS 14 HA LYS 14 2.663 11.632 1.455 90 HB2 LYS 14 2HB LYS 14 1.502 13.848 1.428 91 HB3 LYS 14 1HB LYS 14 1.732 13.945 3.169 92 HG2 LYS 14 2HG LYS 14 4.144 13.949 2.879 93 HG3 LYS 14 1HG LYS 14 3.951 13.769 1.133 94 HD2 LYS 14 2HD LYS 14 2.753 15.941 1.071 95 HD3 LYS 14 1HD LYS 14 3.025 16.118 2.806 96 HE2 LYS 14 2HE LYS 14 5.445 16.102 2.427 97 HE3 LYS 14 1HE LYS 14 5.174 15.907 0.694 98 HZ1 LYS 14 3HZ LYS 14 4.079 18.051 0.650 99 HZ2 LYS 14 1HZ LYS 14 5.634 18.210 1.295 100 HZ3 LYS 14 2HZ LYS 14 4.290 18.233 2.314 101 H GLY 15 H GLY 15 4.298 10.644 2.437 102 HA2 GLY 15 2HA GLY 15 5.775 10.009 4.112 103 HA3 GLY 15 1HA GLY 15 4.867 10.992 5.250 104 H GLU 16 H GLU 16 2.706 9.052 3.666 105 HA GLU 16 HA GLU 16 2.731 7.035 5.827 106 HB2 GLU 16 2HB GLU 16 0.319 8.309 4.508 107 HB3 GLU 16 1HB GLU 16 0.274 7.079 5.765 108 HG2 GLU 16 2HG GLU 16 1.312 8.613 7.340 109 HG3 GLU 16 1HG GLU 16 1.441 9.843 6.083 110 H MET 17 H MET 17 1.426 5.038 5.255 111 HA MET 17 HA MET 17 2.433 4.093 2.680 112 HB2 MET 17 2HB MET 17 1.192 2.600 5.004 113 HB3 MET 17 1HB MET 17 1.899 1.851 3.578 114 HG2 MET 17 2HG MET 17 4.082 2.677 4.153 115 HG3 MET 17 1HG MET 17 3.418 3.616 5.491 116 HE1 MET 17 3HE MET 17 2.204 0.015 4.532 117 HE2 MET 17 1HE MET 17 3.344 -0.996 5.424 118 HE3 MET 17 2HE MET 17 3.906 -0.019 4.067 119 H LYS 18 H LYS 18 1.187 3.247 1.033 120 HA LYS 18 HA LYS 18 -1.721 3.731 1.206 121 HB2 LYS 18 2HB LYS 18 -0.621 5.142 -0.443 122 HB3 LYS 18 1HB LYS 18 0.109 3.736 -1.210 123 HG2 LYS 18 2HG LYS 18 -2.196 2.928 -1.760 124 HG3 LYS 18 1HG LYS 18 -2.821 4.455 -1.135 125 HD2 LYS 18 2HD LYS 18 -1.543 5.687 -2.814 126 HD3 LYS 18 1HD LYS 18 -0.850 4.180 -3.419 127 HE2 LYS 18 2HE LYS 18 -3.192 3.424 -3.941 128 HE3 LYS 18 1HE LYS 18 -3.743 5.046 -3.531 129 HZ1 LYS 18 3HZ LYS 18 -2.275 5.902 -5.287 130 HZ2 LYS 18 1HZ LYS 18 -3.454 4.857 -5.894 131 HZ3 LYS 18 2HZ LYS 18 -1.856 4.322 -5.709 132 H CYS 19 H CYS 19 -2.797 1.897 1.563 133 HA CYS 19 HA CYS 19 -1.995 -0.573 0.140 134 HB2 CYS 19 2HB CYS 19 -3.771 -0.301 2.586 135 HB3 CYS 19 1HB CYS 19 -3.240 -1.808 1.848 136 H ILE 20 H ILE 20 -3.222 -1.070 -1.585 137 HA ILE 20 HA ILE 20 -6.104 -0.413 -1.529 138 HB ILE 20 HB ILE 20 -6.077 0.192 -3.895 139 HG12 ILE 20 2HG1 ILE 20 -3.054 -0.029 -3.737 140 HG13 ILE 20 1HG1 ILE 20 -4.099 -1.194 -4.541 141 HG21 ILE 20 1HG2 ILE 20 -5.816 1.966 -2.234 142 HG22 ILE 20 2HG2 ILE 20 -4.961 2.356 -3.724 143 HG23 ILE 20 3HG2 ILE 20 -4.063 1.794 -2.314 144 HD11 ILE 20 3HD1 ILE 20 -4.824 0.544 -6.100 145 HD12 ILE 20 1HD1 ILE 20 -3.077 0.305 -6.137 146 HD13 ILE 20 2HD1 ILE 20 -3.757 1.698 -5.298 147 H ASN 21 H ASN 21 -7.418 -1.692 -3.006 148 HA ASN 21 HA ASN 21 -6.204 -4.309 -3.646 149 HB2 ASN 21 2HB ASN 21 -8.488 -5.244 -3.549 150 HB3 ASN 21 1HB ASN 21 -8.006 -4.520 -2.022 151 HD21 ASN 21 1HD2 ASN 21 -10.126 -4.276 -1.368 152 HD22 ASN 21 2HD2 ASN 21 -11.174 -3.079 -2.041 153 H HIS 22 H HIS 22 -7.508 -5.413 -5.537 154 HA HIS 22 HA HIS 22 -7.059 -3.716 -7.823 155 HB2 HIS 22 2HB HIS 22 -8.205 -6.522 -7.800 156 HB3 HIS 22 1HB HIS 22 -7.461 -5.690 -9.163 157 HD1 HIS 22 HD1 HIS 22 -6.656 -7.589 -6.070 158 HD2 HIS 22 HD2 HIS 22 -4.623 -5.582 -9.085 159 HE1 HIS 22 HE1 HIS 22 -4.253 -8.208 -5.778 160 HE2 HIS 22 HE2 HIS 22 -3.021 -6.830 -7.477 161 H TYR 23 H TYR 23 -9.689 -4.256 -5.827 162 HA TYR 23 HA TYR 23 -11.800 -3.866 -7.751 163 HB2 TYR 23 2HB TYR 23 -12.151 -5.149 -5.682 164 HB3 TYR 23 1HB TYR 23 -11.814 -3.712 -4.725 165 HD1 TYR 23 HD1 TYR 23 -14.074 -4.710 -7.542 166 HD2 TYR 23 HD2 TYR 23 -13.665 -2.629 -3.847 167 HE1 TYR 23 HE1 TYR 23 -16.465 -4.151 -7.598 168 HE2 TYR 23 HE2 TYR 23 -16.058 -2.066 -3.896 169 HH TYR 23 HH TYR 23 -17.868 -1.860 -5.469 170 H GLY 24 H GLY 24 -9.691 -1.804 -5.946 171 HA2 GLY 24 2HA GLY 24 -9.503 0.496 -6.783 172 HA3 GLY 24 1HA GLY 24 -11.256 0.554 -6.840 173 H GLY 25 H GLY 25 -10.686 -1.039 -4.065 174 HA2 GLY 25 2HA GLY 25 -11.410 1.078 -2.358 175 HA3 GLY 25 1HA GLY 25 -10.795 -0.481 -1.840 176 H TYR 26 H TYR 26 -10.280 2.638 -1.383 177 HA TYR 26 HA TYR 26 -7.334 2.517 -1.477 178 HB2 TYR 26 2HB TYR 26 -8.162 4.327 -2.814 179 HB3 TYR 26 1HB TYR 26 -9.241 4.862 -1.530 180 HD1 TYR 26 HD2 TYR 26 -5.611 4.438 -2.312 181 HD2 TYR 26 HD1 TYR 26 -8.549 6.546 -0.061 182 HE1 TYR 26 HE2 TYR 26 -3.879 5.983 -1.504 183 HE2 TYR 26 HE1 TYR 26 -6.822 8.096 0.751 184 HH TYR 26 HH TYR 26 -4.325 8.084 1.072 185 H LEU 27 H LEU 27 -6.311 2.238 0.408 186 HA LEU 27 HA LEU 27 -7.388 3.521 2.840 187 HB2 LEU 27 2HB LEU 27 -6.241 0.726 2.676 188 HB3 LEU 27 1HB LEU 27 -6.647 1.557 4.164 189 HG LEU 27 HG LEU 27 -8.608 0.729 2.014 190 HD11 LEU 27 1HD1 LEU 27 -7.725 -1.178 3.245 191 HD12 LEU 27 2HD1 LEU 27 -9.415 -0.889 3.657 192 HD13 LEU 27 3HD1 LEU 27 -8.139 -0.400 4.774 193 HD21 LEU 27 3HD2 LEU 27 -10.344 1.408 3.602 194 HD22 LEU 27 1HD2 LEU 27 -9.329 2.773 3.143 195 HD23 LEU 27 2HD2 LEU 27 -9.108 1.998 4.713 196 H CYS 28 H CYS 28 -5.878 4.552 4.108 197 HA CYS 28 HA CYS 28 -3.024 4.206 3.408 198 HB2 CYS 28 2HB CYS 28 -4.486 6.525 4.676 199 HB3 CYS 28 1HB CYS 28 -2.732 6.389 4.712 200 H LEU 29 H LEU 29 -1.555 3.582 4.912 201 HA LEU 29 HA LEU 29 -2.509 3.092 7.664 202 HB2 LEU 29 2HB LEU 29 -0.651 1.403 5.979 203 HB3 LEU 29 1HB LEU 29 -0.909 1.150 7.696 204 HG LEU 29 HG LEU 29 -2.985 0.862 5.507 205 HD11 LEU 29 1HD1 LEU 29 -2.968 -1.499 6.115 206 HD12 LEU 29 2HD1 LEU 29 -1.706 -1.197 7.310 207 HD13 LEU 29 3HD1 LEU 29 -1.368 -0.971 5.593 208 HD21 LEU 29 3HD2 LEU 29 -4.506 0.110 7.257 209 HD22 LEU 29 1HD2 LEU 29 -3.986 1.767 7.557 210 HD23 LEU 29 2HD2 LEU 29 -3.285 0.441 8.487 211 HA PRO 30 HA PRO 30 0.893 5.438 9.326 212 HB2 PRO 30 2HB PRO 30 1.433 3.098 11.104 213 HB3 PRO 30 1HB PRO 30 1.159 4.794 11.525 214 HG2 PRO 30 2HG PRO 30 -0.753 2.989 11.921 215 HG3 PRO 30 1HG PRO 30 -1.151 4.609 11.312 216 HD2 PRO 30 2HD PRO 30 -0.963 2.014 9.819 217 HD3 PRO 30 1HD PRO 30 -2.142 3.333 9.643 218 H ARG 31 H ARG 31 3.195 5.538 9.425 219 HA ARG 31 HA ARG 31 4.430 4.058 7.301 220 HB2 ARG 31 2HB ARG 31 4.775 6.493 7.799 221 HB3 ARG 31 1HB ARG 31 5.711 6.022 9.211 222 HG2 ARG 31 2HG ARG 31 7.329 4.892 7.767 223 HG3 ARG 31 1HG ARG 31 6.382 5.342 6.348 224 HD2 ARG 31 2HD ARG 31 6.695 7.750 7.067 225 HD3 ARG 31 1HD ARG 31 7.874 7.155 8.236 226 HE ARG 31 HE ARG 31 9.179 6.336 6.346 227 HH11 ARG 31 1HH1 ARG 31 6.695 8.611 5.676 228 HH12 ARG 31 2HH1 ARG 31 7.430 9.153 4.204 229 HH21 ARG 31 1HH2 ARG 31 10.122 7.035 4.445 230 HH22 ARG 31 2HH2 ARG 31 9.347 8.278 3.526 231 H SER 32 H SER 32 3.807 2.821 10.113 232 HA SER 32 HA SER 32 6.193 2.194 11.435 233 HB2 SER 32 2HB SER 32 4.022 1.927 12.503 234 HB3 SER 32 1HB SER 32 3.580 0.661 11.358 235 HG SER 32 HG SER 32 4.689 0.298 13.660 236 H ALA 33 H ALA 33 4.943 0.852 8.498 237 HA ALA 33 HA ALA 33 6.844 -1.409 8.699 238 HB1 ALA 33 3HB ALA 33 5.401 -2.667 7.207 239 HB2 ALA 33 1HB ALA 33 4.304 -1.291 7.073 240 HB3 ALA 33 2HB ALA 33 4.493 -2.120 8.618 241 H ALA 34 H ALA 34 8.239 -1.822 7.023 242 HA ALA 34 HA ALA 34 8.359 0.191 4.864 243 HB1 ALA 34 3HB ALA 34 10.572 -1.558 5.944 244 HB2 ALA 34 1HB ALA 34 10.321 0.143 6.338 245 HB3 ALA 34 2HB ALA 34 10.737 -0.328 4.690 246 H VAL 35 H VAL 35 8.925 -0.511 2.711 247 HA VAL 35 HA VAL 35 7.815 -3.137 2.092 248 HB VAL 35 HB VAL 35 7.940 -2.351 -0.309 249 HG11 VAL 35 1HG1 VAL 35 6.036 -0.795 -0.070 250 HG12 VAL 35 2HG1 VAL 35 6.371 -0.674 1.657 251 HG13 VAL 35 3HG1 VAL 35 5.873 -2.215 0.959 252 HG21 VAL 35 3HG2 VAL 35 8.683 0.281 0.991 253 HG22 VAL 35 1HG2 VAL 35 8.262 0.054 -0.708 254 HG23 VAL 35 2HG2 VAL 35 9.724 -0.685 -0.054 255 H ILE 36 H ILE 36 9.521 -4.479 2.795 256 HA ILE 36 HA ILE 36 11.737 -4.678 0.866 257 HB ILE 36 HB ILE 36 13.343 -5.266 2.573 258 HG12 ILE 36 2HG1 ILE 36 11.737 -6.316 4.183 259 HG13 ILE 36 1HG1 ILE 36 12.898 -5.244 4.949 260 HG21 ILE 36 1HG2 ILE 36 13.590 -3.113 3.727 261 HG22 ILE 36 2HG2 ILE 36 11.938 -2.688 3.276 262 HG23 ILE 36 3HG2 ILE 36 13.164 -2.910 2.028 263 HD11 ILE 36 3HD1 ILE 36 11.195 -3.504 5.106 264 HD12 ILE 36 1HD1 ILE 36 10.685 -4.992 5.906 265 HD13 ILE 36 2HD1 ILE 36 10.033 -4.575 4.324 266 H ASN 37 H ASN 37 12.929 -6.903 1.327 267 HA ASN 37 HA ASN 37 11.173 -8.967 0.622 268 HB2 ASN 37 2HB ASN 37 13.586 -8.939 0.082 269 HB3 ASN 37 1HB ASN 37 13.966 -9.182 1.783 270 HD21 ASN 37 1HD2 ASN 37 15.067 -11.085 1.361 271 HD22 ASN 37 2HD2 ASN 37 14.244 -12.546 0.948 272 H ASP 38 H ASP 38 10.676 -10.965 1.746 273 HA ASP 38 HA ASP 38 9.462 -10.684 4.219 274 HB2 ASP 38 2HB ASP 38 10.524 -13.212 2.932 275 HB3 ASP 38 1HB ASP 38 9.407 -13.173 4.290 276 H LEU 39 H LEU 39 10.358 -10.255 6.153 277 HA LEU 39 HA LEU 39 13.064 -10.924 6.833 278 HB2 LEU 39 2HB LEU 39 10.774 -9.987 8.574 279 HB3 LEU 39 1HB LEU 39 12.423 -10.170 9.131 280 HG LEU 39 HG LEU 39 12.123 -7.864 8.745 281 HD11 LEU 39 1HD1 LEU 39 13.690 -7.337 6.953 282 HD12 LEU 39 2HD1 LEU 39 13.532 -8.974 6.319 283 HD13 LEU 39 3HD1 LEU 39 14.248 -8.710 7.909 284 HD21 LEU 39 3HD2 LEU 39 10.078 -7.957 7.433 285 HD22 LEU 39 1HD2 LEU 39 10.984 -8.533 6.033 286 HD23 LEU 39 2HD2 LEU 39 11.270 -6.912 6.662 287 H HIS 40 H HIS 40 10.019 -12.513 7.133 288 HA HIS 40 HA HIS 40 10.971 -14.539 8.992 289 HB2 HIS 40 2HB HIS 40 8.671 -15.550 8.530 290 HB3 HIS 40 1HB HIS 40 8.688 -13.962 9.288 291 HD1 HIS 40 HD1 HIS 40 7.475 -12.108 8.103 292 HD2 HIS 40 HD2 HIS 40 7.949 -15.473 5.706 293 HE1 HIS 40 HE1 HIS 40 6.130 -11.656 6.033 294 HE2 HIS 40 HE2 HIS 40 6.603 -13.606 4.523 295 H GLY 41 H GLY 41 11.395 -16.716 8.481 296 HA2 GLY 41 2HA GLY 41 10.836 -18.129 6.211 297 HA3 GLY 41 1HA GLY 41 12.270 -17.215 5.775 298 H GLU 42 H GLU 42 11.472 -20.179 6.491 299 HA GLU 42 HA GLU 42 13.731 -20.754 8.296 300 HB2 GLU 42 2HB GLU 42 11.310 -22.322 7.442 301 HB3 GLU 42 1HB GLU 42 12.713 -23.159 8.087 302 HG2 GLU 42 2HG GLU 42 11.239 -20.963 9.531 303 HG3 GLU 42 1HG GLU 42 10.945 -22.687 9.764 304 H GLY 43 H GLY 43 15.150 -22.580 7.759 305 HA2 GLY 43 2HA GLY 43 16.582 -23.728 6.392 306 HA3 GLY 43 1HA GLY 43 15.293 -23.755 5.202 307 HA PRO 44 HA PRO 44 18.362 -21.015 3.209 308 HB2 PRO 44 2HB PRO 44 18.324 -22.122 0.792 309 HB3 PRO 44 1HB PRO 44 19.113 -22.956 2.139 310 HG2 PRO 44 2HG PRO 44 16.405 -23.440 0.941 311 HG3 PRO 44 1HG PRO 44 17.629 -24.619 1.447 312 HD2 PRO 44 2HD PRO 44 15.437 -23.835 2.974 313 HD3 PRO 44 1HD PRO 44 16.911 -24.587 3.620 314 HA PRO 45 HA PRO 45 15.589 -18.177 1.066 315 HB2 PRO 45 2HB PRO 45 17.569 -17.987 -1.142 316 HB3 PRO 45 1HB PRO 45 16.917 -16.715 -0.105 317 HG2 PRO 45 2HG PRO 45 19.425 -17.584 0.198 318 HG3 PRO 45 1HG PRO 45 18.430 -17.146 1.603 319 HD2 PRO 45 2HD PRO 45 19.094 -19.870 0.523 320 HD3 PRO 45 1HD PRO 45 19.020 -19.314 2.209 321 HA PRO 46 HA PRO 46 13.771 -21.176 -1.803 322 HB2 PRO 46 2HB PRO 46 11.284 -20.146 -1.871 323 HB3 PRO 46 1HB PRO 46 11.898 -20.997 -0.448 324 HG2 PRO 46 2HG PRO 46 11.719 -18.044 -0.949 325 HG3 PRO 46 1HG PRO 46 11.272 -18.955 0.505 326 HD2 PRO 46 2HD PRO 46 13.639 -17.624 0.250 327 HD3 PRO 46 1HD PRO 46 13.452 -19.080 1.246 328 HA PRO 47 HA PRO 47 13.925 -19.226 -5.821 329 HB2 PRO 47 2HB PRO 47 11.920 -20.539 -7.166 330 HB3 PRO 47 1HB PRO 47 13.514 -21.231 -6.851 331 HG2 PRO 47 2HG PRO 47 10.947 -21.634 -5.352 332 HG3 PRO 47 1HG PRO 47 12.165 -22.834 -5.824 333 HD2 PRO 47 2HD PRO 47 12.041 -21.867 -3.320 334 HD3 PRO 47 1HD PRO 47 13.595 -22.249 -4.088 335 H VAL 48 H VAL 48 13.140 -17.213 -4.767 336 HA VAL 48 HA VAL 48 10.396 -16.505 -5.605 337 HB VAL 48 HB VAL 48 10.458 -14.707 -3.913 338 HG11 VAL 48 1HG1 VAL 48 11.054 -17.439 -2.768 339 HG12 VAL 48 2HG1 VAL 48 9.482 -16.873 -3.335 340 HG13 VAL 48 3HG1 VAL 48 10.235 -16.119 -1.930 341 HG21 VAL 48 3HG2 VAL 48 12.242 -14.696 -2.198 342 HG22 VAL 48 1HG2 VAL 48 12.847 -14.296 -3.805 343 HG23 VAL 48 2HG2 VAL 48 13.125 -15.903 -3.133 344 HA PRO 49 HA PRO 49 12.113 -13.593 -8.484 345 HB2 PRO 49 2HB PRO 49 10.050 -11.839 -8.715 346 HB3 PRO 49 1HB PRO 49 9.991 -13.476 -9.382 347 HG2 PRO 49 2HG PRO 49 8.847 -12.441 -6.808 348 HG3 PRO 49 1HG PRO 49 8.093 -13.493 -8.023 349 HD2 PRO 49 2HD PRO 49 9.179 -14.474 -5.743 350 HD3 PRO 49 1HD PRO 49 9.205 -15.379 -7.269 351 HA PRO 50 HA PRO 50 13.967 -10.245 -6.184 352 HB2 PRO 50 2HB PRO 50 14.498 -8.491 -8.226 353 HB3 PRO 50 1HB PRO 50 15.455 -9.941 -7.903 354 HG2 PRO 50 2HG PRO 50 13.257 -9.533 -9.907 355 HG3 PRO 50 1HG PRO 50 14.825 -10.340 -10.113 356 HD2 PRO 50 2HD PRO 50 12.561 -11.742 -9.736 357 HD3 PRO 50 1HD PRO 50 14.108 -12.279 -9.049 358 H ALA 51 H ALA 51 11.111 -9.773 -8.075 359 HA ALA 51 HA ALA 51 10.564 -7.092 -7.123 360 HB1 ALA 51 3HB ALA 51 9.811 -7.816 -9.336 361 HB2 ALA 51 1HB ALA 51 8.446 -7.345 -8.322 362 HB3 ALA 51 2HB ALA 51 8.797 -9.052 -8.593 363 H GLN 52 H GLN 52 11.009 -9.036 -5.051 364 HA GLN 52 HA GLN 52 8.692 -10.107 -3.936 365 HB2 GLN 52 2HB GLN 52 10.098 -9.868 -1.715 366 HB3 GLN 52 1HB GLN 52 10.550 -11.016 -2.961 367 HG2 GLN 52 2HG GLN 52 12.510 -9.907 -2.133 368 HG3 GLN 52 1HG GLN 52 12.230 -9.426 -3.802 369 HE21 GLN 52 1HE2 GLN 52 13.447 -7.568 -3.581 370 HE22 GLN 52 2HE2 GLN 52 12.906 -6.199 -2.676 371 H HIS 53 H HIS 53 7.532 -9.509 -2.017 372 HA HIS 53 HA HIS 53 7.501 -6.708 -1.232 373 HB2 HIS 53 2HB HIS 53 5.222 -8.040 -2.696 374 HB3 HIS 53 1HB HIS 53 4.914 -6.733 -1.560 375 HD1 HIS 53 HD1 HIS 53 6.716 -7.384 -4.832 376 HD2 HIS 53 HD2 HIS 53 5.340 -4.207 -2.538 377 HE1 HIS 53 HE1 HIS 53 6.930 -5.359 -6.290 378 HE2 HIS 53 HE2 HIS 53 5.869 -3.508 -4.965 379 HA PRO 54 HA PRO 54 6.681 -8.823 2.604 380 HB2 PRO 54 2HB PRO 54 6.249 -6.675 4.193 381 HB3 PRO 54 1HB PRO 54 7.854 -7.095 3.581 382 HG2 PRO 54 2HG PRO 54 5.910 -5.050 2.553 383 HG3 PRO 54 1HG PRO 54 7.661 -4.905 2.803 384 HD2 PRO 54 2HD PRO 54 6.564 -5.384 0.360 385 HD3 PRO 54 1HD PRO 54 8.164 -5.993 0.830 386 H ASN 55 H ASN 55 4.393 -6.529 1.259 387 HA ASN 55 HA ASN 55 2.177 -6.141 1.535 388 HB2 ASN 55 2HB ASN 55 2.258 -9.146 1.792 389 HB3 ASN 55 1HB ASN 55 0.757 -8.230 1.677 390 HD21 ASN 55 1HD2 ASN 55 0.172 -9.091 -0.284 391 HD22 ASN 55 2HD2 ASN 55 1.002 -8.742 -1.756 392 HA PRO 56 HA PRO 56 2.365 -6.195 6.248 393 HB2 PRO 56 2HB PRO 56 2.292 -3.472 6.494 394 HB3 PRO 56 1HB PRO 56 3.793 -4.400 6.381 395 HG2 PRO 56 2HG PRO 56 2.315 -2.924 4.227 396 HG3 PRO 56 1HG PRO 56 4.055 -2.942 4.576 397 HD2 PRO 56 2HD PRO 56 3.002 -4.427 2.601 398 HD3 PRO 56 1HD PRO 56 4.362 -5.014 3.580 399 H CYS 57 H CYS 57 0.349 -5.048 3.727 400 HA CYS 57 HA CYS 57 -1.732 -3.967 5.439 401 HB2 CYS 57 2HB CYS 57 -2.004 -4.520 2.482 402 HB3 CYS 57 1HB CYS 57 -2.819 -3.293 3.445 403 HA PRO 58 HA PRO 58 -3.947 -7.693 6.360 404 HB2 PRO 58 2HB PRO 58 -6.330 -6.040 5.579 405 HB3 PRO 58 1HB PRO 58 -6.089 -7.062 7.004 406 HG2 PRO 58 2HG PRO 58 -5.844 -4.427 7.204 407 HG3 PRO 58 1HG PRO 58 -4.716 -5.499 8.054 408 HD2 PRO 58 2HD PRO 58 -4.280 -3.853 5.604 409 HD3 PRO 58 1HD PRO 58 -3.138 -4.291 6.892 410 HA PRO 59 HA PRO 59 -4.403 -9.932 2.533 411 HB2 PRO 59 2HB PRO 59 -6.574 -11.324 4.068 412 HB3 PRO 59 1HB PRO 59 -5.262 -12.012 3.101 413 HG2 PRO 59 2HG PRO 59 -5.086 -11.996 5.748 414 HG3 PRO 59 1HG PRO 59 -3.663 -11.623 4.755 415 HD2 PRO 59 2HD PRO 59 -5.415 -9.779 6.327 416 HD3 PRO 59 1HD PRO 59 -3.666 -9.693 6.024 417 H GLY 60 H GLY 60 -5.505 -9.468 0.730 418 HA2 GLY 60 2HA GLY 60 -7.595 -9.092 -0.470 419 HA3 GLY 60 1HA GLY 60 -8.226 -8.313 0.974 420 H TYR 61 H TYR 61 -5.866 -6.787 1.557 421 HA TYR 61 HA TYR 61 -5.802 -4.885 -0.707 422 HB2 TYR 61 2HB TYR 61 -5.526 -4.381 2.268 423 HB3 TYR 61 1HB TYR 61 -5.195 -3.165 1.038 424 HD1 TYR 61 HD2 TYR 61 -7.854 -5.207 2.607 425 HD2 TYR 61 HD1 TYR 61 -6.977 -2.026 -0.089 426 HE1 TYR 61 HE2 TYR 61 -10.230 -4.579 2.580 427 HE2 TYR 61 HE1 TYR 61 -9.350 -1.393 -0.119 428 HH TYR 61 HH TYR 61 -11.607 -2.586 2.111 429 H GLU 62 H GLU 62 -3.837 -4.156 -1.451 430 HA GLU 62 HA GLU 62 -1.406 -5.272 -0.214 431 HB2 GLU 62 2HB GLU 62 -0.535 -5.740 -2.501 432 HB3 GLU 62 1HB GLU 62 -1.923 -6.723 -2.059 433 HG2 GLU 62 2HG GLU 62 -3.378 -5.256 -3.382 434 HG3 GLU 62 1HG GLU 62 -1.979 -4.284 -3.835 435 HA PRO 63 HA PRO 63 0.465 -1.262 -0.626 436 HB2 PRO 63 2HB PRO 63 2.910 -2.579 -1.683 437 HB3 PRO 63 1HB PRO 63 2.703 -1.582 -0.240 438 HG2 PRO 63 2HG PRO 63 3.051 -4.233 -0.048 439 HG3 PRO 63 1HG PRO 63 1.957 -3.366 1.049 440 HD2 PRO 63 2HD PRO 63 1.310 -5.031 -1.361 441 HD3 PRO 63 1HD PRO 63 0.492 -4.962 0.215 442 H ASP 64 H ASP 64 0.462 0.305 -2.163 443 HA ASP 64 HA ASP 64 0.243 -0.492 -4.965 444 HB2 ASP 64 2HB ASP 64 -1.449 1.026 -4.103 445 HB3 ASP 64 1HB ASP 64 -0.214 2.163 -3.578 446 H ASP 65 H ASP 65 2.166 -0.713 -6.022 447 HA ASP 65 HA ASP 65 4.385 1.082 -5.525 448 HB2 ASP 65 2HB ASP 65 4.004 -0.953 -7.740 449 HB3 ASP 65 1HB ASP 65 5.512 -0.144 -7.331 450 H GLN 66 H GLN 66 4.132 3.144 -6.208 451 HA GLN 66 HA GLN 66 3.024 3.607 -8.909 452 HB2 GLN 66 2HB GLN 66 2.196 5.760 -8.133 453 HB3 GLN 66 1HB GLN 66 1.575 4.469 -7.116 454 HG2 GLN 66 2HG GLN 66 3.365 5.002 -5.456 455 HG3 GLN 66 1HG GLN 66 3.792 6.397 -6.447 456 HE21 GLN 66 1HE2 GLN 66 0.533 5.208 -5.871 457 HE22 GLN 66 2HE2 GLN 66 0.009 6.586 -4.971 458 H ASP 67 H ASP 67 4.025 5.145 -10.251 459 HA ASP 67 HA ASP 67 6.794 5.682 -9.861 460 HB2 ASP 67 2HB ASP 67 4.856 7.004 -11.783 461 HB3 ASP 67 1HB ASP 67 6.613 7.040 -11.896 462 H SER 68 H SER 68 7.043 6.786 -7.889 463 HA SER 68 HA SER 68 5.479 9.133 -7.295 464 HB2 SER 68 2HB SER 68 6.922 9.271 -5.243 465 HB3 SER 68 1HB SER 68 6.085 7.734 -5.439 466 HG SER 68 HG SER 68 8.608 8.022 -5.018 467 H CYS 69 H CYS 69 6.127 10.323 -9.267 468 HA CYS 69 HA CYS 69 8.755 11.557 -9.263 469 HB2 CYS 69 2HB CYS 69 6.279 12.117 -10.908 470 HB3 CYS 69 1HB CYS 69 7.793 12.990 -11.103 471 H VAL 70 H VAL 70 5.934 12.072 -7.527 472 HA VAL 70 HA VAL 70 6.456 14.946 -7.182 473 HB VAL 70 HB VAL 70 4.176 14.507 -7.800 474 HG11 VAL 70 1HG1 VAL 70 2.663 13.117 -6.494 475 HG12 VAL 70 2HG1 VAL 70 3.977 12.687 -5.399 476 HG13 VAL 70 3HG1 VAL 70 4.030 12.169 -7.083 477 HG21 VAL 70 3HG2 VAL 70 4.534 16.316 -6.202 478 HG22 VAL 70 1HG2 VAL 70 4.345 15.188 -4.858 479 HG23 VAL 70 2HG2 VAL 70 2.978 15.537 -5.919 480 H ASP 71 H ASP 71 7.965 15.208 -5.654 481 HA ASP 71 HA ASP 71 7.835 13.680 -3.164 482 HB2 ASP 71 2HB ASP 71 10.049 14.820 -2.690 483 HB3 ASP 71 1HB ASP 71 10.023 13.741 -4.078 Start of MODEL 11 1 H1 SER 1 1H SER 1 -13.013 12.070 -15.518 2 H2 SER 1 2H SER 1 -12.564 10.453 -15.337 3 H3 SER 1 3H SER 1 -13.463 10.933 -16.686 4 HA SER 1 HA SER 1 -11.648 12.267 -17.488 5 HB2 SER 1 2HB SER 1 -9.436 12.100 -16.357 6 HB3 SER 1 1HB SER 1 -10.656 12.877 -15.348 7 HG SER 1 HG SER 1 -9.518 11.351 -14.137 8 H ASP 2 H ASP 2 -10.245 11.360 -19.008 9 HA ASP 2 HA ASP 2 -10.541 8.498 -19.389 10 HB2 ASP 2 2HB ASP 2 -9.178 10.611 -21.080 11 HB3 ASP 2 1HB ASP 2 -9.410 8.931 -21.558 12 H VAL 3 H VAL 3 -7.694 10.661 -19.537 13 HA VAL 3 HA VAL 3 -6.127 8.636 -18.079 14 HB VAL 3 HB VAL 3 -4.173 9.069 -19.558 15 HG11 VAL 3 1HG1 VAL 3 -5.569 7.091 -19.911 16 HG12 VAL 3 2HG1 VAL 3 -4.921 7.693 -21.437 17 HG13 VAL 3 3HG1 VAL 3 -6.604 8.008 -21.008 18 HG21 VAL 3 3HG2 VAL 3 -4.545 10.130 -21.762 19 HG22 VAL 3 1HG2 VAL 3 -4.790 11.257 -20.426 20 HG23 VAL 3 2HG2 VAL 3 -6.180 10.563 -21.263 21 H ASN 4 H ASN 4 -4.479 9.448 -16.749 22 HA ASN 4 HA ASN 4 -4.652 12.296 -16.145 23 HB2 ASN 4 2HB ASN 4 -4.666 10.725 -14.274 24 HB3 ASN 4 1HB ASN 4 -3.108 10.076 -14.782 25 HD21 ASN 4 1HD2 ASN 4 -4.749 12.801 -13.365 26 HD22 ASN 4 2HD2 ASN 4 -3.336 13.565 -12.730 27 H GLU 5 H GLU 5 -3.430 13.658 -17.248 28 HA GLU 5 HA GLU 5 -1.102 12.859 -18.726 29 HB2 GLU 5 2HB GLU 5 -2.205 15.631 -18.209 30 HB3 GLU 5 1HB GLU 5 -1.060 15.188 -19.466 31 HG2 GLU 5 2HG GLU 5 -2.790 13.728 -20.475 32 HG3 GLU 5 1HG GLU 5 -3.926 14.277 -19.246 33 H CYS 6 H CYS 6 -0.488 12.267 -16.139 34 HA CYS 6 HA CYS 6 1.111 12.433 -14.572 35 HB2 CYS 6 2HB CYS 6 2.300 14.215 -16.664 36 HB3 CYS 6 1HB CYS 6 3.077 14.061 -15.089 37 H LEU 7 H LEU 7 -0.876 15.088 -15.184 38 HA LEU 7 HA LEU 7 -0.106 16.599 -12.879 39 HB2 LEU 7 2HB LEU 7 -2.146 17.802 -13.110 40 HB3 LEU 7 1HB LEU 7 -1.553 17.496 -14.729 41 HG LEU 7 HG LEU 7 -3.791 15.946 -13.401 42 HD11 LEU 7 1HD1 LEU 7 -3.936 18.134 -15.474 43 HD12 LEU 7 2HD1 LEU 7 -4.424 18.270 -13.785 44 HD13 LEU 7 3HD1 LEU 7 -5.292 17.183 -14.867 45 HD21 LEU 7 3HD2 LEU 7 -4.245 15.130 -15.683 46 HD22 LEU 7 1HD2 LEU 7 -2.667 14.620 -15.087 47 HD23 LEU 7 2HD2 LEU 7 -2.784 15.941 -16.248 48 H THR 8 H THR 8 0.313 14.506 -11.731 49 HA THR 8 HA THR 8 -1.629 12.559 -11.315 50 HB THR 8 HB THR 8 0.679 11.986 -11.075 51 HG1 THR 8 HG1 THR 8 0.479 11.239 -8.662 52 HG21 THR 8 3HG2 THR 8 2.062 12.755 -9.206 53 HG22 THR 8 1HG2 THR 8 0.748 13.792 -8.651 54 HG23 THR 8 2HG2 THR 8 1.530 14.112 -10.199 55 H ILE 9 H ILE 9 -3.459 12.672 -10.246 56 HA ILE 9 HA ILE 9 -3.899 14.289 -7.917 57 HB ILE 9 HB ILE 9 -5.522 11.943 -8.961 58 HG12 ILE 9 2HG1 ILE 9 -5.326 13.723 -10.644 59 HG13 ILE 9 1HG1 ILE 9 -6.965 13.653 -10.009 60 HG21 ILE 9 1HG2 ILE 9 -7.372 12.901 -7.661 61 HG22 ILE 9 2HG2 ILE 9 -6.288 14.140 -7.027 62 HG23 ILE 9 3HG2 ILE 9 -6.020 12.443 -6.626 63 HD11 ILE 9 3HD1 ILE 9 -4.850 15.645 -9.216 64 HD12 ILE 9 1HD1 ILE 9 -6.496 15.579 -8.584 65 HD13 ILE 9 2HD1 ILE 9 -6.218 15.945 -10.287 66 HA PRO 10 HA PRO 10 -1.519 11.595 -5.327 67 HB2 PRO 10 2HB PRO 10 -2.371 12.521 -2.878 68 HB3 PRO 10 1HB PRO 10 -1.162 13.326 -3.884 69 HG2 PRO 10 2HG PRO 10 -4.094 13.899 -3.625 70 HG3 PRO 10 1HG PRO 10 -2.732 15.035 -3.687 71 HD2 PRO 10 2HD PRO 10 -4.261 14.578 -5.844 72 HD3 PRO 10 1HD PRO 10 -2.510 14.842 -5.996 73 H GLU 11 H GLU 11 -2.639 9.641 -5.954 74 HA GLU 11 HA GLU 11 -4.885 8.643 -4.544 75 HB2 GLU 11 2HB GLU 11 -2.615 7.114 -5.834 76 HB3 GLU 11 1HB GLU 11 -4.133 6.412 -5.297 77 HG2 GLU 11 2HG GLU 11 -5.307 7.881 -6.944 78 HG3 GLU 11 1HG GLU 11 -3.720 8.368 -7.549 79 H ALA 12 H ALA 12 -1.458 8.710 -3.848 80 HA ALA 12 HA ALA 12 -1.729 6.945 -1.550 81 HB1 ALA 12 3HB ALA 12 0.688 7.210 -1.314 82 HB2 ALA 12 1HB ALA 12 0.687 8.441 -2.579 83 HB3 ALA 12 2HB ALA 12 0.262 6.774 -2.969 84 H CYS 13 H CYS 13 -0.676 7.676 0.528 85 HA CYS 13 HA CYS 13 -1.725 10.331 1.238 86 HB2 CYS 13 2HB CYS 13 -1.092 7.869 2.865 87 HB3 CYS 13 1HB CYS 13 -1.404 9.423 3.616 88 H LYS 14 H LYS 14 -0.442 11.938 2.051 89 HA LYS 14 HA LYS 14 2.331 11.873 1.457 90 HB2 LYS 14 2HB LYS 14 1.014 13.932 1.348 91 HB3 LYS 14 1HB LYS 14 0.735 13.868 3.083 92 HG2 LYS 14 2HG LYS 14 3.104 14.198 3.507 93 HG3 LYS 14 1HG LYS 14 3.432 14.181 1.772 94 HD2 LYS 14 2HD LYS 14 2.060 16.187 1.482 95 HD3 LYS 14 1HD LYS 14 1.683 16.189 3.206 96 HE2 LYS 14 2HE LYS 14 4.031 16.560 3.738 97 HE3 LYS 14 1HE LYS 14 4.450 16.489 2.028 98 HZ1 LYS 14 3HZ LYS 14 4.266 18.769 2.875 99 HZ2 LYS 14 1HZ LYS 14 2.638 18.504 3.242 100 HZ3 LYS 14 2HZ LYS 14 3.156 18.463 1.635 101 H GLY 15 H GLY 15 3.982 11.097 2.625 102 HA2 GLY 15 2HA GLY 15 5.264 10.511 4.464 103 HA3 GLY 15 1HA GLY 15 4.076 11.287 5.496 104 H GLU 16 H GLU 16 2.513 9.111 3.495 105 HA GLU 16 HA GLU 16 2.741 6.879 5.410 106 HB2 GLU 16 2HB GLU 16 0.160 8.094 4.389 107 HB3 GLU 16 1HB GLU 16 0.263 6.597 5.308 108 HG2 GLU 16 2HG GLU 16 1.083 7.776 7.237 109 HG3 GLU 16 1HG GLU 16 1.189 9.280 6.324 110 H MET 17 H MET 17 1.813 4.827 4.530 111 HA MET 17 HA MET 17 2.577 4.581 1.718 112 HB2 MET 17 2HB MET 17 1.942 2.431 3.743 113 HB3 MET 17 1HB MET 17 2.599 2.170 2.133 114 HG2 MET 17 2HG MET 17 4.620 3.403 2.764 115 HG3 MET 17 1HG MET 17 3.960 3.641 4.385 116 HE1 MET 17 3HE MET 17 2.433 0.633 4.427 117 HE2 MET 17 1HE MET 17 3.082 1.502 5.819 118 HE3 MET 17 2HE MET 17 3.594 -0.154 5.496 119 H LYS 18 H LYS 18 1.323 3.494 0.176 120 HA LYS 18 HA LYS 18 -1.582 3.656 0.618 121 HB2 LYS 18 2HB LYS 18 -0.856 5.111 -1.132 122 HB3 LYS 18 1HB LYS 18 0.129 3.847 -1.865 123 HG2 LYS 18 2HG LYS 18 -2.017 2.605 -2.346 124 HG3 LYS 18 1HG LYS 18 -2.876 4.064 -1.842 125 HD2 LYS 18 2HD LYS 18 -1.820 5.354 -3.598 126 HD3 LYS 18 1HD LYS 18 -0.798 3.984 -4.040 127 HE2 LYS 18 2HE LYS 18 -2.956 2.726 -4.530 128 HE3 LYS 18 1HE LYS 18 -3.777 4.282 -4.401 129 HZ1 LYS 18 3HZ LYS 18 -2.425 5.122 -6.206 130 HZ2 LYS 18 1HZ LYS 18 -3.205 3.706 -6.697 131 HZ3 LYS 18 2HZ LYS 18 -1.564 3.671 -6.291 132 H CYS 19 H CYS 19 -2.494 1.740 1.051 133 HA CYS 19 HA CYS 19 -1.426 -0.715 -0.204 134 HB2 CYS 19 2HB CYS 19 -3.293 -0.462 2.171 135 HB3 CYS 19 1HB CYS 19 -2.602 -1.958 1.548 136 H ILE 20 H ILE 20 -2.491 -1.225 -2.028 137 HA ILE 20 HA ILE 20 -5.444 -1.197 -1.977 138 HB ILE 20 HB ILE 20 -5.562 -0.533 -4.308 139 HG12 ILE 20 2HG1 ILE 20 -2.551 -0.172 -4.209 140 HG13 ILE 20 1HG1 ILE 20 -3.377 -1.495 -5.023 141 HG21 ILE 20 1HG2 ILE 20 -3.901 1.377 -2.664 142 HG22 ILE 20 2HG2 ILE 20 -5.660 1.247 -2.680 143 HG23 ILE 20 3HG2 ILE 20 -4.805 1.808 -4.115 144 HD11 ILE 20 3HD1 ILE 20 -4.456 0.111 -6.522 145 HD12 ILE 20 1HD1 ILE 20 -2.697 0.203 -6.604 146 HD13 ILE 20 2HD1 ILE 20 -3.601 1.427 -5.714 147 H ASN 21 H ASN 21 -6.418 -2.728 -3.536 148 HA ASN 21 HA ASN 21 -4.568 -4.908 -4.305 149 HB2 ASN 21 2HB ASN 21 -6.514 -6.458 -4.092 150 HB3 ASN 21 1HB ASN 21 -6.021 -5.730 -2.568 151 HD21 ASN 21 1HD2 ASN 21 -8.032 -6.091 -1.644 152 HD22 ASN 21 2HD2 ASN 21 -9.430 -5.178 -2.087 153 H HIS 22 H HIS 22 -5.397 -6.230 -6.200 154 HA HIS 22 HA HIS 22 -5.736 -4.624 -8.461 155 HB2 HIS 22 2HB HIS 22 -6.136 -7.564 -7.968 156 HB3 HIS 22 1HB HIS 22 -6.512 -6.863 -9.538 157 HD1 HIS 22 HD1 HIS 22 -3.567 -7.428 -7.214 158 HD2 HIS 22 HD2 HIS 22 -4.361 -6.381 -11.156 159 HE1 HIS 22 HE1 HIS 22 -1.363 -7.530 -8.395 160 HE2 HIS 22 HE2 HIS 22 -1.896 -7.060 -10.805 161 H TYR 23 H TYR 23 -8.119 -5.990 -6.320 162 HA TYR 23 HA TYR 23 -10.399 -5.757 -7.955 163 HB2 TYR 23 2HB TYR 23 -10.444 -7.062 -5.900 164 HB3 TYR 23 1HB TYR 23 -10.145 -5.617 -4.937 165 HD1 TYR 23 HD1 TYR 23 -12.626 -7.253 -7.164 166 HD2 TYR 23 HD2 TYR 23 -11.946 -4.232 -4.238 167 HE1 TYR 23 HE1 TYR 23 -15.045 -6.871 -6.995 168 HE2 TYR 23 HE2 TYR 23 -14.368 -3.843 -4.068 169 HH TYR 23 HH TYR 23 -16.378 -4.164 -5.406 170 H GLY 24 H GLY 24 -8.695 -3.365 -6.001 171 HA2 GLY 24 2HA GLY 24 -8.890 -1.038 -6.761 172 HA3 GLY 24 1HA GLY 24 -10.609 -1.314 -6.970 173 H GLY 25 H GLY 25 -9.508 -2.787 -4.122 174 HA2 GLY 25 2HA GLY 25 -10.749 -0.856 -2.401 175 HA3 GLY 25 1HA GLY 25 -9.840 -2.272 -1.890 176 H TYR 26 H TYR 26 -9.784 0.597 -0.942 177 HA TYR 26 HA TYR 26 -6.915 1.129 -1.400 178 HB2 TYR 26 2HB TYR 26 -8.052 2.707 -2.770 179 HB3 TYR 26 1HB TYR 26 -9.216 3.076 -1.502 180 HD1 TYR 26 HD2 TYR 26 -5.595 3.374 -2.351 181 HD2 TYR 26 HD1 TYR 26 -8.843 4.877 -0.044 182 HE1 TYR 26 HE2 TYR 26 -4.197 5.249 -1.601 183 HE2 TYR 26 HE1 TYR 26 -7.447 6.752 0.709 184 HH TYR 26 HH TYR 26 -5.021 7.241 0.979 185 H LEU 27 H LEU 27 -5.716 1.475 0.356 186 HA LEU 27 HA LEU 27 -6.914 2.526 2.828 187 HB2 LEU 27 2HB LEU 27 -5.162 0.061 2.665 188 HB3 LEU 27 1HB LEU 27 -5.587 0.878 4.157 189 HG LEU 27 HG LEU 27 -7.561 -0.459 2.296 190 HD11 LEU 27 1HD1 LEU 27 -6.473 -1.363 4.964 191 HD12 LEU 27 2HD1 LEU 27 -6.103 -2.084 3.398 192 HD13 LEU 27 3HD1 LEU 27 -7.744 -2.163 4.038 193 HD21 LEU 27 3HD2 LEU 27 -8.549 1.400 3.523 194 HD22 LEU 27 1HD2 LEU 27 -7.917 0.755 5.037 195 HD23 LEU 27 2HD2 LEU 27 -9.147 -0.138 4.143 196 H CYS 28 H CYS 28 -5.406 3.601 4.226 197 HA CYS 28 HA CYS 28 -2.653 3.914 3.174 198 HB2 CYS 28 2HB CYS 28 -4.461 5.967 4.428 199 HB3 CYS 28 1HB CYS 28 -2.713 6.148 4.518 200 H LEU 29 H LEU 29 -1.045 3.301 4.487 201 HA LEU 29 HA LEU 29 -1.666 2.840 7.343 202 HB2 LEU 29 2HB LEU 29 0.341 1.444 5.561 203 HB3 LEU 29 1HB LEU 29 0.193 1.176 7.288 204 HG LEU 29 HG LEU 29 -1.890 0.533 5.191 205 HD11 LEU 29 1HD1 LEU 29 -1.475 -1.789 5.822 206 HD12 LEU 29 2HD1 LEU 29 -0.226 -1.267 6.953 207 HD13 LEU 29 3HD1 LEU 29 -0.006 -1.019 5.221 208 HD21 LEU 29 3HD2 LEU 29 -3.182 -0.452 7.033 209 HD22 LEU 29 1HD2 LEU 29 -2.973 1.287 7.240 210 HD23 LEU 29 2HD2 LEU 29 -2.000 0.162 8.189 211 HA PRO 30 HA PRO 30 1.314 5.891 8.498 212 HB2 PRO 30 2HB PRO 30 2.246 4.840 10.853 213 HB3 PRO 30 1HB PRO 30 0.678 5.635 10.686 214 HG2 PRO 30 2HG PRO 30 1.323 2.708 10.678 215 HG3 PRO 30 1HG PRO 30 -0.003 3.560 11.495 216 HD2 PRO 30 2HD PRO 30 -0.386 2.223 9.187 217 HD3 PRO 30 1HD PRO 30 -1.260 3.728 9.550 218 H ARG 31 H ARG 31 3.589 6.294 8.759 219 HA ARG 31 HA ARG 31 5.163 4.492 7.143 220 HB2 ARG 31 2HB ARG 31 5.186 7.003 6.933 221 HB3 ARG 31 1HB ARG 31 6.041 7.068 8.468 222 HG2 ARG 31 2HG ARG 31 7.875 5.746 7.475 223 HG3 ARG 31 1HG ARG 31 7.018 5.753 5.932 224 HD2 ARG 31 2HD ARG 31 7.111 8.258 5.989 225 HD3 ARG 31 1HD ARG 31 8.141 8.132 7.417 226 HE ARG 31 HE ARG 31 9.083 6.618 5.166 227 HH11 ARG 31 1HH1 ARG 31 9.186 9.694 6.741 228 HH12 ARG 31 2HH1 ARG 31 10.645 10.155 5.940 229 HH21 ARG 31 1HH2 ARG 31 10.937 7.227 4.171 230 HH22 ARG 31 2HH2 ARG 31 11.628 8.776 4.514 231 H SER 32 H SER 32 4.442 4.142 10.241 232 HA SER 32 HA SER 32 6.907 3.837 11.594 233 HB2 SER 32 2HB SER 32 5.680 2.404 13.167 234 HB3 SER 32 1HB SER 32 4.726 3.830 12.763 235 HG SER 32 HG SER 32 4.306 1.144 12.111 236 H ALA 33 H ALA 33 5.077 1.679 9.501 237 HA ALA 33 HA ALA 33 7.365 -0.190 9.457 238 HB1 ALA 33 3HB ALA 33 5.827 -1.844 8.535 239 HB2 ALA 33 1HB ALA 33 4.526 -0.652 8.523 240 HB3 ALA 33 2HB ALA 33 5.202 -1.202 10.056 241 H ALA 34 H ALA 34 8.711 0.190 7.798 242 HA ALA 34 HA ALA 34 7.795 1.679 5.467 243 HB1 ALA 34 3HB ALA 34 9.857 2.351 6.619 244 HB2 ALA 34 1HB ALA 34 10.149 1.934 4.929 245 HB3 ALA 34 2HB ALA 34 10.586 0.799 6.207 246 H VAL 35 H VAL 35 8.186 1.038 3.296 247 HA VAL 35 HA VAL 35 7.839 -1.798 2.816 248 HB VAL 35 HB VAL 35 7.607 -1.134 0.427 249 HG11 VAL 35 1HG1 VAL 35 5.488 0.078 0.701 250 HG12 VAL 35 2HG1 VAL 35 5.909 0.426 2.377 251 HG13 VAL 35 3HG1 VAL 35 5.647 -1.240 1.860 252 HG21 VAL 35 3HG2 VAL 35 8.013 1.672 1.482 253 HG22 VAL 35 1HG2 VAL 35 7.497 1.251 -0.154 254 HG23 VAL 35 2HG2 VAL 35 9.104 0.794 0.410 255 H ILE 36 H ILE 36 10.442 -1.006 3.844 256 HA ILE 36 HA ILE 36 12.385 -0.975 1.761 257 HB ILE 36 HB ILE 36 14.002 -1.586 3.676 258 HG12 ILE 36 2HG1 ILE 36 13.083 -1.022 5.965 259 HG13 ILE 36 1HG1 ILE 36 11.466 -1.108 5.282 260 HG21 ILE 36 1HG2 ILE 36 13.922 0.714 4.562 261 HG22 ILE 36 2HG2 ILE 36 12.351 0.937 3.792 262 HG23 ILE 36 3HG2 ILE 36 13.785 0.652 2.804 263 HD11 ILE 36 3HD1 ILE 36 11.799 -3.461 4.772 264 HD12 ILE 36 1HD1 ILE 36 12.068 -3.135 6.481 265 HD13 ILE 36 2HD1 ILE 36 13.444 -3.377 5.403 266 H ASN 37 H ASN 37 14.264 -2.711 1.923 267 HA ASN 37 HA ASN 37 13.129 -5.094 0.851 268 HB2 ASN 37 2HB ASN 37 15.537 -5.829 0.680 269 HB3 ASN 37 1HB ASN 37 15.165 -4.299 -0.104 270 HD21 ASN 37 1HD2 ASN 37 16.907 -5.849 2.448 271 HD22 ASN 37 2HD2 ASN 37 17.798 -4.454 2.948 272 H ASP 38 H ASP 38 11.894 -5.995 2.546 273 HA ASP 38 HA ASP 38 13.414 -7.868 4.154 274 HB2 ASP 38 2HB ASP 38 13.288 -5.932 5.657 275 HB3 ASP 38 1HB ASP 38 11.537 -5.878 5.473 276 H LEU 39 H LEU 39 12.339 -9.776 4.370 277 HA LEU 39 HA LEU 39 9.461 -9.904 4.164 278 HB2 LEU 39 2HB LEU 39 9.394 -11.462 2.284 279 HB3 LEU 39 1HB LEU 39 10.048 -9.914 1.809 280 HG LEU 39 HG LEU 39 11.271 -11.561 0.631 281 HD11 LEU 39 1HD1 LEU 39 13.567 -11.314 1.391 282 HD12 LEU 39 2HD1 LEU 39 12.998 -10.724 2.952 283 HD13 LEU 39 3HD1 LEU 39 12.687 -9.789 1.489 284 HD21 LEU 39 3HD2 LEU 39 11.801 -13.002 3.222 285 HD22 LEU 39 1HD2 LEU 39 12.375 -13.470 1.621 286 HD23 LEU 39 2HD2 LEU 39 10.649 -13.501 1.983 287 H HIS 40 H HIS 40 8.564 -11.876 4.921 288 HA HIS 40 HA HIS 40 10.469 -13.807 6.068 289 HB2 HIS 40 2HB HIS 40 8.235 -12.491 7.639 290 HB3 HIS 40 1HB HIS 40 9.278 -13.780 8.227 291 HD1 HIS 40 HD1 HIS 40 11.614 -13.130 9.036 292 HD2 HIS 40 HD2 HIS 40 9.474 -9.946 7.446 293 HE1 HIS 40 HE1 HIS 40 12.964 -11.082 9.562 294 HE2 HIS 40 HE2 HIS 40 11.745 -9.199 8.430 295 H GLY 41 H GLY 41 6.927 -13.264 6.221 296 HA2 GLY 41 2HA GLY 41 5.168 -14.675 5.737 297 HA3 GLY 41 1HA GLY 41 6.250 -15.543 4.660 298 H GLU 42 H GLU 42 7.226 -17.436 5.360 299 HA GLU 42 HA GLU 42 7.435 -18.217 8.075 300 HB2 GLU 42 2HB GLU 42 5.834 -20.098 8.093 301 HB3 GLU 42 1HB GLU 42 5.026 -18.542 7.946 302 HG2 GLU 42 2HG GLU 42 4.676 -18.898 5.584 303 HG3 GLU 42 1HG GLU 42 5.599 -20.399 5.640 304 H GLY 43 H GLY 43 9.263 -19.356 8.064 305 HA2 GLY 43 2HA GLY 43 10.865 -20.910 7.548 306 HA3 GLY 43 1HA GLY 43 9.543 -21.881 6.938 307 HA PRO 44 HA PRO 44 11.755 -21.364 3.082 308 HB2 PRO 44 2HB PRO 44 10.478 -23.226 1.657 309 HB3 PRO 44 1HB PRO 44 11.492 -23.667 3.036 310 HG2 PRO 44 2HG PRO 44 8.511 -23.515 2.846 311 HG3 PRO 44 1HG PRO 44 9.524 -24.673 3.725 312 HD2 PRO 44 2HD PRO 44 8.260 -22.420 4.826 313 HD3 PRO 44 1HD PRO 44 9.552 -23.368 5.587 314 HA PRO 45 HA PRO 45 8.963 -18.640 0.751 315 HB2 PRO 45 2HB PRO 45 10.818 -17.635 -0.931 316 HB3 PRO 45 1HB PRO 45 10.726 -17.133 0.761 317 HG2 PRO 45 2HG PRO 45 12.573 -19.108 -0.531 318 HG3 PRO 45 1HG PRO 45 12.940 -17.852 0.666 319 HD2 PRO 45 2HD PRO 45 12.581 -20.491 1.305 320 HD3 PRO 45 1HD PRO 45 12.250 -19.160 2.432 321 HA PRO 46 HA PRO 46 7.932 -21.178 -2.777 322 HB2 PRO 46 2HB PRO 46 7.202 -18.683 -4.209 323 HB3 PRO 46 1HB PRO 46 6.199 -20.077 -3.791 324 HG2 PRO 46 2HG PRO 46 5.934 -17.740 -2.509 325 HG3 PRO 46 1HG PRO 46 5.756 -19.287 -1.657 326 HD2 PRO 46 2HD PRO 46 8.090 -17.400 -1.697 327 HD3 PRO 46 1HD PRO 46 7.397 -18.309 -0.336 328 HA PRO 47 HA PRO 47 11.384 -21.198 -5.598 329 HB2 PRO 47 2HB PRO 47 10.053 -22.011 -7.918 330 HB3 PRO 47 1HB PRO 47 10.682 -23.088 -6.667 331 HG2 PRO 47 2HG PRO 47 7.898 -22.057 -7.060 332 HG3 PRO 47 1HG PRO 47 8.437 -23.678 -6.576 333 HD2 PRO 47 2HD PRO 47 7.467 -21.960 -4.774 334 HD3 PRO 47 1HD PRO 47 8.839 -23.015 -4.370 335 H VAL 48 H VAL 48 8.374 -19.734 -6.790 336 HA VAL 48 HA VAL 48 9.958 -17.617 -8.114 337 HB VAL 48 HB VAL 48 7.031 -18.278 -8.565 338 HG11 VAL 48 1HG1 VAL 48 7.584 -15.959 -9.060 339 HG12 VAL 48 2HG1 VAL 48 7.260 -16.844 -10.550 340 HG13 VAL 48 3HG1 VAL 48 8.922 -16.477 -10.088 341 HG21 VAL 48 3HG2 VAL 48 9.404 -19.014 -10.288 342 HG22 VAL 48 1HG2 VAL 48 7.708 -19.300 -10.679 343 HG23 VAL 48 2HG2 VAL 48 8.451 -20.134 -9.313 344 HA PRO 49 HA PRO 49 8.008 -15.223 -4.757 345 HB2 PRO 49 2HB PRO 49 10.230 -13.986 -3.874 346 HB3 PRO 49 1HB PRO 49 9.882 -15.672 -3.478 347 HG2 PRO 49 2HG PRO 49 11.912 -14.563 -5.309 348 HG3 PRO 49 1HG PRO 49 11.862 -16.144 -4.514 349 HD2 PRO 49 2HD PRO 49 11.076 -15.454 -7.223 350 HD3 PRO 49 1HD PRO 49 11.152 -17.059 -6.468 351 HA PRO 50 HA PRO 50 8.029 -11.616 -7.655 352 HB2 PRO 50 2HB PRO 50 5.394 -11.112 -7.616 353 HB3 PRO 50 1HB PRO 50 6.060 -12.442 -8.572 354 HG2 PRO 50 2HG PRO 50 4.730 -12.530 -5.884 355 HG3 PRO 50 1HG PRO 50 4.497 -13.598 -7.281 356 HD2 PRO 50 2HD PRO 50 6.104 -14.221 -5.138 357 HD3 PRO 50 1HD PRO 50 6.343 -14.871 -6.771 358 H ALA 51 H ALA 51 7.460 -12.066 -4.383 359 HA ALA 51 HA ALA 51 6.846 -9.235 -3.865 360 HB1 ALA 51 3HB ALA 51 5.312 -10.875 -2.885 361 HB2 ALA 51 1HB ALA 51 6.153 -9.947 -1.643 362 HB3 ALA 51 2HB ALA 51 6.653 -11.601 -1.999 363 H GLN 52 H GLN 52 8.784 -8.164 -3.852 364 HA GLN 52 HA GLN 52 10.808 -9.073 -1.913 365 HB2 GLN 52 2HB GLN 52 10.946 -6.993 -4.110 366 HB3 GLN 52 1HB GLN 52 12.224 -7.235 -2.923 367 HG2 GLN 52 2HG GLN 52 11.223 -9.325 -4.852 368 HG3 GLN 52 1HG GLN 52 12.682 -8.355 -5.061 369 HE21 GLN 52 1HE2 GLN 52 11.199 -10.943 -3.262 370 HE22 GLN 52 2HE2 GLN 52 12.657 -11.555 -2.570 371 H HIS 53 H HIS 53 8.093 -7.302 -1.914 372 HA HIS 53 HA HIS 53 9.013 -5.246 -0.044 373 HB2 HIS 53 2HB HIS 53 6.327 -5.806 -1.320 374 HB3 HIS 53 1HB HIS 53 6.536 -4.611 -0.049 375 HD1 HIS 53 HD1 HIS 53 7.747 -5.306 -3.586 376 HD2 HIS 53 HD2 HIS 53 7.255 -2.143 -0.938 377 HE1 HIS 53 HE1 HIS 53 8.202 -3.233 -4.921 378 HE2 HIS 53 HE2 HIS 53 7.632 -1.343 -3.370 379 HA PRO 54 HA PRO 54 8.013 -7.590 3.628 380 HB2 PRO 54 2HB PRO 54 7.027 -5.540 5.205 381 HB3 PRO 54 1HB PRO 54 8.743 -5.897 4.977 382 HG2 PRO 54 2HG PRO 54 7.035 -3.855 3.605 383 HG3 PRO 54 1HG PRO 54 8.696 -3.701 4.212 384 HD2 PRO 54 2HD PRO 54 8.199 -4.053 1.603 385 HD3 PRO 54 1HD PRO 54 9.596 -4.827 2.381 386 H ASN 55 H ASN 55 5.644 -5.643 1.999 387 HA ASN 55 HA ASN 55 3.391 -5.488 2.015 388 HB2 ASN 55 2HB ASN 55 3.749 -8.435 2.539 389 HB3 ASN 55 1HB ASN 55 2.164 -7.708 2.281 390 HD21 ASN 55 1HD2 ASN 55 1.764 -8.759 0.369 391 HD22 ASN 55 2HD2 ASN 55 2.623 -8.418 -1.091 392 HA PRO 56 HA PRO 56 3.106 -5.039 6.697 393 HB2 PRO 56 2HB PRO 56 2.603 -2.334 6.499 394 HB3 PRO 56 1HB PRO 56 4.204 -3.027 6.778 395 HG2 PRO 56 2HG PRO 56 2.971 -2.082 4.218 396 HG3 PRO 56 1HG PRO 56 4.619 -1.835 4.826 397 HD2 PRO 56 2HD PRO 56 4.082 -3.683 2.958 398 HD3 PRO 56 1HD PRO 56 5.296 -3.975 4.222 399 H CYS 57 H CYS 57 1.343 -4.375 3.818 400 HA CYS 57 HA CYS 57 -1.181 -3.810 5.141 401 HB2 CYS 57 2HB CYS 57 -0.948 -4.521 2.227 402 HB3 CYS 57 1HB CYS 57 -2.035 -3.375 3.006 403 HA PRO 58 HA PRO 58 -1.745 -8.186 5.932 404 HB2 PRO 58 2HB PRO 58 -4.596 -7.355 6.252 405 HB3 PRO 58 1HB PRO 58 -3.558 -8.264 7.357 406 HG2 PRO 58 2HG PRO 58 -4.130 -5.713 7.847 407 HG3 PRO 58 1HG PRO 58 -2.496 -6.342 8.146 408 HD2 PRO 58 2HD PRO 58 -3.501 -4.670 5.868 409 HD3 PRO 58 1HD PRO 58 -1.961 -4.569 6.748 410 HA PRO 59 HA PRO 59 -2.998 -10.341 2.248 411 HB2 PRO 59 2HB PRO 59 -4.797 -11.792 4.177 412 HB3 PRO 59 1HB PRO 59 -3.789 -12.449 2.877 413 HG2 PRO 59 2HG PRO 59 -2.953 -12.538 5.402 414 HG3 PRO 59 1HG PRO 59 -1.820 -12.175 4.087 415 HD2 PRO 59 2HD PRO 59 -2.946 -10.370 6.161 416 HD3 PRO 59 1HD PRO 59 -1.416 -10.249 5.270 417 H GLY 60 H GLY 60 -4.573 -10.154 0.696 418 HA2 GLY 60 2HA GLY 60 -6.822 -9.699 -0.051 419 HA3 GLY 60 1HA GLY 60 -7.129 -8.878 1.473 420 H TYR 61 H TYR 61 -4.397 -7.590 1.205 421 HA TYR 61 HA TYR 61 -4.850 -5.760 -1.055 422 HB2 TYR 61 2HB TYR 61 -4.209 -4.969 1.797 423 HB3 TYR 61 1HB TYR 61 -4.054 -3.874 0.427 424 HD1 TYR 61 HD1 TYR 61 -6.060 -3.092 -0.777 425 HD2 TYR 61 HD2 TYR 61 -6.388 -5.530 2.701 426 HE1 TYR 61 HE1 TYR 61 -8.433 -2.488 -0.582 427 HE2 TYR 61 HE2 TYR 61 -8.761 -4.925 2.901 428 HH TYR 61 HH TYR 61 -10.239 -3.021 2.180 429 H GLU 62 H GLU 62 -2.883 -4.568 -1.698 430 HA GLU 62 HA GLU 62 -0.382 -5.929 -0.961 431 HB2 GLU 62 2HB GLU 62 0.216 -6.109 -3.368 432 HB3 GLU 62 1HB GLU 62 -1.197 -7.067 -2.950 433 HG2 GLU 62 2HG GLU 62 -2.611 -5.168 -3.801 434 HG3 GLU 62 1HG GLU 62 -1.127 -4.440 -4.408 435 HA PRO 63 HA PRO 63 1.394 -1.864 -0.956 436 HB2 PRO 63 2HB PRO 63 3.894 -2.936 -2.100 437 HB3 PRO 63 1HB PRO 63 3.599 -2.224 -0.511 438 HG2 PRO 63 2HG PRO 63 4.057 -4.855 -0.811 439 HG3 PRO 63 1HG PRO 63 2.937 -4.235 0.417 440 HD2 PRO 63 2HD PRO 63 2.323 -5.437 -2.269 441 HD3 PRO 63 1HD PRO 63 1.527 -5.714 -0.703 442 H ASP 64 H ASP 64 1.026 -0.244 -2.349 443 HA ASP 64 HA ASP 64 1.427 -0.701 -5.231 444 HB2 ASP 64 2HB ASP 64 -0.811 0.076 -4.496 445 HB3 ASP 64 1HB ASP 64 -0.073 1.530 -3.829 446 H ASP 65 H ASP 65 3.090 0.257 -6.283 447 HA ASP 65 HA ASP 65 4.571 2.388 -4.864 448 HB2 ASP 65 2HB ASP 65 5.551 0.574 -7.092 449 HB3 ASP 65 1HB ASP 65 6.519 1.725 -6.179 450 H GLN 66 H GLN 66 3.697 4.290 -5.603 451 HA GLN 66 HA GLN 66 3.943 4.771 -8.500 452 HB2 GLN 66 2HB GLN 66 2.284 6.620 -8.211 453 HB3 GLN 66 1HB GLN 66 1.639 5.007 -7.968 454 HG2 GLN 66 2HG GLN 66 1.764 5.349 -5.528 455 HG3 GLN 66 1HG GLN 66 2.345 6.991 -5.809 456 HE21 GLN 66 1HE2 GLN 66 -0.086 5.440 -7.802 457 HE22 GLN 66 2HE2 GLN 66 -1.395 6.459 -7.320 458 H ASP 67 H ASP 67 5.571 6.052 -9.062 459 HA ASP 67 HA ASP 67 6.856 7.668 -6.970 460 HB2 ASP 67 2HB ASP 67 7.901 6.648 -9.621 461 HB3 ASP 67 1HB ASP 67 8.818 7.683 -8.529 462 H SER 68 H SER 68 6.044 7.971 -10.456 463 HA SER 68 HA SER 68 6.236 10.906 -10.131 464 HB2 SER 68 2HB SER 68 6.736 9.224 -12.600 465 HB3 SER 68 1HB SER 68 6.733 10.985 -12.577 466 HG SER 68 HG SER 68 8.761 9.419 -12.094 467 H CYS 69 H CYS 69 4.627 8.644 -12.404 468 HA CYS 69 HA CYS 69 2.228 10.380 -12.276 469 HB2 CYS 69 2HB CYS 69 3.270 8.979 -14.756 470 HB3 CYS 69 1HB CYS 69 1.900 10.082 -14.665 471 H VAL 70 H VAL 70 0.190 9.340 -12.579 472 HA VAL 70 HA VAL 70 0.192 6.532 -11.793 473 HB VAL 70 HB VAL 70 -2.239 6.816 -11.438 474 HG11 VAL 70 1HG1 VAL 70 -0.697 7.266 -9.606 475 HG12 VAL 70 2HG1 VAL 70 -2.087 8.348 -9.524 476 HG13 VAL 70 3HG1 VAL 70 -0.539 8.945 -10.126 477 HG21 VAL 70 3HG2 VAL 70 -1.771 9.693 -12.266 478 HG22 VAL 70 1HG2 VAL 70 -3.272 9.034 -11.611 479 HG23 VAL 70 2HG2 VAL 70 -2.682 8.491 -13.181 480 H ASP 71 H ASP 71 -0.897 4.890 -12.911 481 HA ASP 71 HA ASP 71 -1.137 5.390 -15.812 482 HB2 ASP 71 2HB ASP 71 0.711 3.879 -14.960 483 HB3 ASP 71 1HB ASP 71 -0.540 2.751 -14.448 Start of MODEL 12 1 H1 SER 1 1H SER 1 8.426 -4.781 -20.077 2 H2 SER 1 2H SER 1 9.286 -3.903 -21.241 3 H3 SER 1 3H SER 1 7.628 -3.651 -21.052 4 HA SER 1 HA SER 1 8.018 -2.839 -18.785 5 HB2 SER 1 2HB SER 1 10.400 -2.213 -18.231 6 HB3 SER 1 1HB SER 1 10.084 -3.945 -18.265 7 HG SER 1 HG SER 1 11.411 -4.156 -19.891 8 H ASP 2 H ASP 2 6.841 -1.171 -19.663 9 HA ASP 2 HA ASP 2 8.106 0.704 -21.506 10 HB2 ASP 2 2HB ASP 2 5.312 0.580 -20.347 11 HB3 ASP 2 1HB ASP 2 5.856 1.805 -21.488 12 H VAL 3 H VAL 3 7.176 3.122 -20.923 13 HA VAL 3 HA VAL 3 8.360 3.744 -18.290 14 HB VAL 3 HB VAL 3 9.791 4.569 -20.033 15 HG11 VAL 3 1HG1 VAL 3 8.205 4.619 -21.879 16 HG12 VAL 3 2HG1 VAL 3 9.048 6.163 -21.741 17 HG13 VAL 3 3HG1 VAL 3 7.388 6.009 -21.163 18 HG21 VAL 3 3HG2 VAL 3 9.563 6.008 -18.081 19 HG22 VAL 3 1HG2 VAL 3 8.210 6.850 -18.837 20 HG23 VAL 3 2HG2 VAL 3 9.826 6.975 -19.533 21 H ASN 4 H ASN 4 6.841 4.290 -16.860 22 HA ASN 4 HA ASN 4 4.551 5.927 -17.704 23 HB2 ASN 4 2HB ASN 4 5.052 4.437 -15.113 24 HB3 ASN 4 1HB ASN 4 3.629 5.423 -15.440 25 HD21 ASN 4 1HD2 ASN 4 2.143 3.789 -15.359 26 HD22 ASN 4 2HD2 ASN 4 2.075 2.511 -16.516 27 H GLU 5 H GLU 5 4.684 8.044 -17.482 28 HA GLU 5 HA GLU 5 6.931 9.285 -16.238 29 HB2 GLU 5 2HB GLU 5 4.411 10.596 -17.289 30 HB3 GLU 5 1HB GLU 5 5.963 11.376 -17.014 31 HG2 GLU 5 2HG GLU 5 6.962 9.931 -18.753 32 HG3 GLU 5 1HG GLU 5 5.370 9.242 -19.061 33 H CYS 6 H CYS 6 6.699 11.168 -14.711 34 HA CYS 6 HA CYS 6 5.283 10.281 -12.343 35 HB2 CYS 6 2HB CYS 6 7.597 11.173 -12.227 36 HB3 CYS 6 1HB CYS 6 6.994 12.749 -12.735 37 H LEU 7 H LEU 7 3.507 11.027 -14.392 38 HA LEU 7 HA LEU 7 2.465 13.680 -13.796 39 HB2 LEU 7 2HB LEU 7 0.735 12.978 -15.551 40 HB3 LEU 7 1HB LEU 7 2.391 13.198 -16.077 41 HG LEU 7 HG LEU 7 2.676 10.688 -15.944 42 HD11 LEU 7 1HD1 LEU 7 0.856 10.123 -14.457 43 HD12 LEU 7 2HD1 LEU 7 0.646 9.309 -16.006 44 HD13 LEU 7 3HD1 LEU 7 -0.320 10.735 -15.622 45 HD21 LEU 7 3HD2 LEU 7 2.335 11.828 -18.067 46 HD22 LEU 7 1HD2 LEU 7 0.586 11.733 -17.853 47 HD23 LEU 7 2HD2 LEU 7 1.532 10.260 -18.060 48 H THR 8 H THR 8 2.384 11.518 -11.752 49 HA THR 8 HA THR 8 -0.277 10.486 -11.608 50 HB THR 8 HB THR 8 1.509 9.184 -10.634 51 HG1 THR 8 HG1 THR 8 -0.241 10.206 -8.613 52 HG21 THR 8 3HG2 THR 8 2.723 9.896 -8.634 53 HG22 THR 8 1HG2 THR 8 1.892 11.452 -8.669 54 HG23 THR 8 2HG2 THR 8 3.005 11.017 -9.966 55 H ILE 9 H ILE 9 -2.035 11.342 -10.770 56 HA ILE 9 HA ILE 9 -2.100 13.795 -9.271 57 HB ILE 9 HB ILE 9 -4.226 11.671 -9.736 58 HG12 ILE 9 2HG1 ILE 9 -3.449 12.693 -11.816 59 HG13 ILE 9 1HG1 ILE 9 -5.088 13.216 -11.457 60 HG21 ILE 9 1HG2 ILE 9 -5.874 13.382 -9.125 61 HG22 ILE 9 2HG2 ILE 9 -4.565 14.484 -8.696 62 HG23 ILE 9 3HG2 ILE 9 -4.800 12.994 -7.780 63 HD11 ILE 9 3HD1 ILE 9 -2.575 14.816 -11.014 64 HD12 ILE 9 1HD1 ILE 9 -4.211 15.347 -10.615 65 HD13 ILE 9 2HD1 ILE 9 -3.764 15.054 -12.294 66 HA PRO 10 HA PRO 10 -1.292 12.275 -5.093 67 HB2 PRO 10 2HB PRO 10 -3.708 13.899 -4.372 68 HB3 PRO 10 1HB PRO 10 -2.113 13.851 -3.608 69 HG2 PRO 10 2HG PRO 10 -2.760 15.865 -5.204 70 HG3 PRO 10 1HG PRO 10 -1.134 15.156 -5.274 71 HD2 PRO 10 2HD PRO 10 -3.431 14.834 -7.164 72 HD3 PRO 10 1HD PRO 10 -1.690 14.912 -7.506 73 H GLU 11 H GLU 11 -2.190 10.153 -6.073 74 HA GLU 11 HA GLU 11 -4.764 9.343 -4.939 75 HB2 GLU 11 2HB GLU 11 -2.829 7.799 -6.689 76 HB3 GLU 11 1HB GLU 11 -4.448 7.283 -6.237 77 HG2 GLU 11 2HG GLU 11 -5.410 9.138 -7.473 78 HG3 GLU 11 1HG GLU 11 -3.801 9.727 -7.881 79 H ALA 12 H ALA 12 -1.830 9.695 -3.705 80 HA ALA 12 HA ALA 12 -2.121 7.420 -1.861 81 HB1 ALA 12 3HB ALA 12 0.494 8.347 -3.058 82 HB2 ALA 12 1HB ALA 12 -0.347 6.846 -3.446 83 HB3 ALA 12 2HB ALA 12 0.306 7.096 -1.826 84 H CYS 13 H CYS 13 -0.786 7.781 0.180 85 HA CYS 13 HA CYS 13 -1.101 10.587 1.020 86 HB2 CYS 13 2HB CYS 13 -0.865 8.033 2.625 87 HB3 CYS 13 1HB CYS 13 -1.006 9.635 3.330 88 H LYS 14 H LYS 14 0.607 11.832 1.669 89 HA LYS 14 HA LYS 14 3.299 10.831 1.379 90 HB2 LYS 14 2HB LYS 14 2.780 13.118 0.688 91 HB3 LYS 14 1HB LYS 14 2.294 13.527 2.330 92 HG2 LYS 14 2HG LYS 14 4.547 13.261 3.127 93 HG3 LYS 14 1HG LYS 14 5.076 12.643 1.562 94 HD2 LYS 14 2HD LYS 14 4.565 14.815 0.534 95 HD3 LYS 14 1HD LYS 14 4.037 15.431 2.102 96 HE2 LYS 14 2HE LYS 14 6.269 15.149 3.008 97 HE3 LYS 14 1HE LYS 14 6.817 14.407 1.505 98 HZ1 LYS 14 3HZ LYS 14 5.855 17.201 1.786 99 HZ2 LYS 14 1HZ LYS 14 6.428 16.484 0.363 100 HZ3 LYS 14 2HZ LYS 14 7.472 16.726 1.666 101 H GLY 15 H GLY 15 4.634 10.086 2.945 102 HA2 GLY 15 2HA GLY 15 5.473 9.682 5.083 103 HA3 GLY 15 1HA GLY 15 4.224 10.726 5.745 104 H GLU 16 H GLU 16 2.668 8.635 3.766 105 HA GLU 16 HA GLU 16 2.364 6.501 5.777 106 HB2 GLU 16 2HB GLU 16 0.100 7.860 4.277 107 HB3 GLU 16 1HB GLU 16 -0.072 6.485 5.360 108 HG2 GLU 16 2HG GLU 16 0.633 7.842 7.247 109 HG3 GLU 16 1HG GLU 16 0.925 9.214 6.179 110 H MET 17 H MET 17 1.452 4.488 4.846 111 HA MET 17 HA MET 17 2.416 4.054 2.119 112 HB2 MET 17 2HB MET 17 1.372 2.047 4.136 113 HB3 MET 17 1HB MET 17 2.147 1.668 2.603 114 HG2 MET 17 2HG MET 17 4.203 2.798 3.443 115 HG3 MET 17 1HG MET 17 3.411 2.965 5.010 116 HE1 MET 17 3HE MET 17 1.717 0.082 4.648 117 HE2 MET 17 1HE MET 17 2.288 0.707 6.199 118 HE3 MET 17 2HE MET 17 2.712 -0.929 5.697 119 H LYS 18 H LYS 18 1.140 3.286 0.434 120 HA LYS 18 HA LYS 18 -1.730 3.826 0.697 121 HB2 LYS 18 2HB LYS 18 -0.610 5.010 -1.070 122 HB3 LYS 18 1HB LYS 18 0.100 3.524 -1.690 123 HG2 LYS 18 2HG LYS 18 -2.180 2.736 -2.282 124 HG3 LYS 18 1HG LYS 18 -2.818 4.297 -1.756 125 HD2 LYS 18 2HD LYS 18 -1.564 5.453 -3.452 126 HD3 LYS 18 1HD LYS 18 -0.698 3.979 -3.887 127 HE2 LYS 18 2HE LYS 18 -2.917 2.993 -4.562 128 HE3 LYS 18 1HE LYS 18 -3.622 4.595 -4.323 129 HZ1 LYS 18 3HZ LYS 18 -2.124 5.469 -5.996 130 HZ2 LYS 18 1HZ LYS 18 -3.036 4.200 -6.640 131 HZ3 LYS 18 2HZ LYS 18 -1.416 3.947 -6.210 132 H CYS 19 H CYS 19 -2.916 2.127 1.261 133 HA CYS 19 HA CYS 19 -2.302 -0.544 0.162 134 HB2 CYS 19 2HB CYS 19 -4.065 0.212 2.508 135 HB3 CYS 19 1HB CYS 19 -3.721 -1.428 1.970 136 H ILE 20 H ILE 20 -3.506 -1.140 -1.551 137 HA ILE 20 HA ILE 20 -6.319 -0.238 -1.702 138 HB ILE 20 HB ILE 20 -6.082 0.015 -4.156 139 HG12 ILE 20 2HG1 ILE 20 -3.106 -0.255 -3.620 140 HG13 ILE 20 1HG1 ILE 20 -4.096 -1.453 -4.448 141 HG21 ILE 20 1HG2 ILE 20 -4.240 1.773 -2.529 142 HG22 ILE 20 2HG2 ILE 20 -5.982 1.975 -2.720 143 HG23 ILE 20 3HG2 ILE 20 -4.915 2.173 -4.110 144 HD11 ILE 20 3HD1 ILE 20 -4.535 0.138 -6.238 145 HD12 ILE 20 1HD1 ILE 20 -2.804 -0.119 -6.015 146 HD13 ILE 20 2HD1 ILE 20 -3.563 1.353 -5.407 147 H ASN 21 H ASN 21 -7.710 -1.552 -3.064 148 HA ASN 21 HA ASN 21 -6.724 -4.312 -3.431 149 HB2 ASN 21 2HB ASN 21 -9.051 -5.068 -3.231 150 HB3 ASN 21 1HB ASN 21 -8.558 -4.166 -1.804 151 HD21 ASN 21 1HD2 ASN 21 -10.637 -3.633 -1.225 152 HD22 ASN 21 2HD2 ASN 21 -11.612 -2.524 -2.120 153 H HIS 22 H HIS 22 -8.152 -5.463 -5.243 154 HA HIS 22 HA HIS 22 -7.442 -4.066 -7.647 155 HB2 HIS 22 2HB HIS 22 -8.907 -6.692 -7.306 156 HB3 HIS 22 1HB HIS 22 -8.233 -6.086 -8.815 157 HD1 HIS 22 HD1 HIS 22 -7.270 -7.644 -5.572 158 HD2 HIS 22 HD2 HIS 22 -5.412 -6.214 -8.999 159 HE1 HIS 22 HE1 HIS 22 -4.906 -8.464 -5.445 160 HE2 HIS 22 HE2 HIS 22 -3.753 -7.312 -7.351 161 H TYR 23 H TYR 23 -10.231 -3.988 -5.759 162 HA TYR 23 HA TYR 23 -12.085 -3.438 -7.912 163 HB2 TYR 23 2HB TYR 23 -12.331 -3.285 -4.907 164 HB3 TYR 23 1HB TYR 23 -13.631 -2.798 -5.991 165 HD1 TYR 23 HD1 TYR 23 -11.344 -5.700 -5.423 166 HD2 TYR 23 HD2 TYR 23 -15.241 -4.390 -6.534 167 HE1 TYR 23 HE1 TYR 23 -12.078 -8.026 -5.584 168 HE2 TYR 23 HE2 TYR 23 -15.987 -6.729 -6.681 169 HH TYR 23 HH TYR 23 -14.813 -9.015 -7.112 170 H GLY 24 H GLY 24 -9.916 -1.638 -5.889 171 HA2 GLY 24 2HA GLY 24 -9.312 0.614 -6.679 172 HA3 GLY 24 1HA GLY 24 -11.020 0.903 -6.949 173 H GLY 25 H GLY 25 -10.828 -0.786 -4.114 174 HA2 GLY 25 2HA GLY 25 -11.475 1.351 -2.406 175 HA3 GLY 25 1HA GLY 25 -10.952 -0.242 -1.885 176 H TYR 26 H TYR 26 -10.302 2.733 -1.175 177 HA TYR 26 HA TYR 26 -7.357 2.560 -1.413 178 HB2 TYR 26 2HB TYR 26 -8.191 4.345 -2.784 179 HB3 TYR 26 1HB TYR 26 -9.196 4.959 -1.478 180 HD1 TYR 26 HD2 TYR 26 -5.612 4.351 -2.350 181 HD2 TYR 26 HD1 TYR 26 -8.401 6.721 -0.174 182 HE1 TYR 26 HE2 TYR 26 -3.803 5.887 -1.710 183 HE2 TYR 26 HE1 TYR 26 -6.599 8.263 0.464 184 HH TYR 26 HH TYR 26 -4.114 8.189 0.718 185 H LEU 27 H LEU 27 -6.253 2.405 0.435 186 HA LEU 27 HA LEU 27 -7.281 3.707 2.876 187 HB2 LEU 27 2HB LEU 27 -6.069 0.937 2.699 188 HB3 LEU 27 1HB LEU 27 -6.402 1.779 4.200 189 HG LEU 27 HG LEU 27 -8.489 0.911 2.186 190 HD11 LEU 27 1HD1 LEU 27 -7.777 -0.237 4.888 191 HD12 LEU 27 2HD1 LEU 27 -7.491 -0.995 3.321 192 HD13 LEU 27 3HD1 LEU 27 -9.141 -0.732 3.884 193 HD21 LEU 27 3HD2 LEU 27 -8.806 2.138 4.932 194 HD22 LEU 27 1HD2 LEU 27 -10.114 1.559 3.899 195 HD23 LEU 27 2HD2 LEU 27 -9.138 2.939 3.398 196 H CYS 28 H CYS 28 -5.659 4.448 4.346 197 HA CYS 28 HA CYS 28 -2.871 4.322 3.364 198 HB2 CYS 28 2HB CYS 28 -4.360 6.724 4.412 199 HB3 CYS 28 1HB CYS 28 -2.602 6.644 4.456 200 H LEU 29 H LEU 29 -1.552 3.368 4.740 201 HA LEU 29 HA LEU 29 -2.239 3.326 7.614 202 HB2 LEU 29 2HB LEU 29 -0.659 1.346 5.958 203 HB3 LEU 29 1HB LEU 29 -0.847 1.252 7.700 204 HG LEU 29 HG LEU 29 -3.051 0.997 5.643 205 HD11 LEU 29 1HD1 LEU 29 -3.208 -1.303 6.443 206 HD12 LEU 29 2HD1 LEU 29 -1.865 -1.020 7.551 207 HD13 LEU 29 3HD1 LEU 29 -1.597 -0.963 5.809 208 HD21 LEU 29 3HD2 LEU 29 -3.878 2.143 7.636 209 HD22 LEU 29 1HD2 LEU 29 -3.213 0.869 8.661 210 HD23 LEU 29 2HD2 LEU 29 -4.526 0.508 7.542 211 HA PRO 30 HA PRO 30 1.481 5.426 8.831 212 HB2 PRO 30 2HB PRO 30 2.147 3.092 10.574 213 HB3 PRO 30 1HB PRO 30 2.010 4.806 10.985 214 HG2 PRO 30 2HG PRO 30 0.088 3.104 11.673 215 HG3 PRO 30 1HG PRO 30 -0.314 4.732 11.092 216 HD2 PRO 30 2HD PRO 30 -0.466 2.112 9.642 217 HD3 PRO 30 1HD PRO 30 -1.578 3.496 9.589 218 H ARG 31 H ARG 31 3.587 5.594 8.198 219 HA ARG 31 HA ARG 31 4.653 3.573 6.429 220 HB2 ARG 31 2HB ARG 31 4.755 6.018 5.954 221 HB3 ARG 31 1HB ARG 31 5.854 6.213 7.309 222 HG2 ARG 31 2HG ARG 31 7.540 4.882 6.188 223 HG3 ARG 31 1HG ARG 31 6.426 4.541 4.860 224 HD2 ARG 31 2HD ARG 31 6.354 6.902 4.281 225 HD3 ARG 31 1HD ARG 31 7.389 7.294 5.653 226 HE ARG 31 HE ARG 31 8.992 5.658 4.354 227 HH11 ARG 31 1HH1 ARG 31 6.912 8.053 3.013 228 HH12 ARG 31 2HH1 ARG 31 7.991 8.414 1.712 229 HH21 ARG 31 1HH2 ARG 31 10.362 6.132 2.695 230 HH22 ARG 31 2HH2 ARG 31 9.929 7.335 1.533 231 H SER 32 H SER 32 4.563 3.472 9.578 232 HA SER 32 HA SER 32 7.259 3.183 10.444 233 HB2 SER 32 2HB SER 32 6.253 2.145 12.470 234 HB3 SER 32 1HB SER 32 5.473 3.667 12.042 235 HG SER 32 HG SER 32 3.958 2.011 12.543 236 H ALA 33 H ALA 33 5.184 1.123 8.663 237 HA ALA 33 HA ALA 33 6.540 -1.342 9.413 238 HB1 ALA 33 3HB ALA 33 5.017 -2.423 7.830 239 HB2 ALA 33 1HB ALA 33 4.429 -0.844 7.306 240 HB3 ALA 33 2HB ALA 33 4.137 -1.393 8.958 241 H ALA 34 H ALA 34 7.695 -2.681 7.894 242 HA ALA 34 HA ALA 34 9.238 -1.137 5.937 243 HB1 ALA 34 3HB ALA 34 9.678 -3.952 6.951 244 HB2 ALA 34 1HB ALA 34 10.450 -2.499 7.589 245 HB3 ALA 34 2HB ALA 34 10.783 -3.022 5.939 246 H VAL 35 H VAL 35 8.895 -1.273 3.800 247 HA VAL 35 HA VAL 35 6.858 -3.074 2.780 248 HB VAL 35 HB VAL 35 7.122 -1.835 0.650 249 HG11 VAL 35 1HG1 VAL 35 5.527 -1.044 2.321 250 HG12 VAL 35 2HG1 VAL 35 6.244 0.317 1.458 251 HG13 VAL 35 3HG1 VAL 35 6.787 -0.078 3.090 252 HG21 VAL 35 3HG2 VAL 35 9.207 -0.247 2.159 253 HG22 VAL 35 1HG2 VAL 35 8.563 0.159 0.568 254 HG23 VAL 35 2HG2 VAL 35 9.506 -1.316 0.789 255 H ILE 36 H ILE 36 9.900 -3.764 3.416 256 HA ILE 36 HA ILE 36 10.769 -4.829 0.869 257 HB ILE 36 HB ILE 36 12.702 -5.767 2.267 258 HG12 ILE 36 2HG1 ILE 36 13.069 -4.504 4.435 259 HG13 ILE 36 1HG1 ILE 36 11.385 -4.001 4.362 260 HG21 ILE 36 1HG2 ILE 36 13.814 -3.583 2.352 261 HG22 ILE 36 2HG2 ILE 36 12.253 -2.782 2.170 262 HG23 ILE 36 3HG2 ILE 36 12.885 -3.786 0.865 263 HD11 ILE 36 3HD1 ILE 36 12.364 -6.848 4.540 264 HD12 ILE 36 1HD1 ILE 36 10.680 -6.321 4.540 265 HD13 ILE 36 2HD1 ILE 36 11.740 -5.880 5.876 266 H ASN 37 H ASN 37 11.960 -7.188 1.395 267 HA ASN 37 HA ASN 37 10.070 -9.108 0.955 268 HB2 ASN 37 2HB ASN 37 11.837 -10.760 1.743 269 HB3 ASN 37 1HB ASN 37 12.333 -9.626 0.491 270 HD21 ASN 37 1HD2 ASN 37 13.897 -8.128 0.937 271 HD22 ASN 37 2HD2 ASN 37 14.792 -8.102 2.414 272 H ASP 38 H ASP 38 8.705 -10.370 2.099 273 HA ASP 38 HA ASP 38 8.050 -9.693 4.768 274 HB2 ASP 38 2HB ASP 38 6.404 -10.534 3.117 275 HB3 ASP 38 1HB ASP 38 7.176 -12.116 3.172 276 H LEU 39 H LEU 39 8.245 -10.869 6.688 277 HA LEU 39 HA LEU 39 10.779 -12.223 6.923 278 HB2 LEU 39 2HB LEU 39 8.695 -11.464 8.973 279 HB3 LEU 39 1HB LEU 39 10.203 -12.255 9.379 280 HG LEU 39 HG LEU 39 10.460 -9.929 9.842 281 HD11 LEU 39 1HD1 LEU 39 11.867 -10.537 7.244 282 HD12 LEU 39 2HD1 LEU 39 12.400 -11.025 8.854 283 HD13 LEU 39 3HD1 LEU 39 12.336 -9.317 8.430 284 HD21 LEU 39 3HD2 LEU 39 10.136 -8.176 8.174 285 HD22 LEU 39 1HD2 LEU 39 8.640 -9.060 8.475 286 HD23 LEU 39 2HD2 LEU 39 9.571 -9.376 7.010 287 H HIS 40 H HIS 40 10.905 -14.137 8.508 288 HA HIS 40 HA HIS 40 10.642 -16.351 8.877 289 HB2 HIS 40 2HB HIS 40 7.749 -15.659 8.394 290 HB3 HIS 40 1HB HIS 40 8.269 -17.289 8.811 291 HD1 HIS 40 HD1 HIS 40 6.700 -14.766 10.463 292 HD2 HIS 40 HD2 HIS 40 10.254 -16.759 11.271 293 HE1 HIS 40 HE1 HIS 40 7.106 -14.452 12.915 294 HE2 HIS 40 HE2 HIS 40 9.120 -15.858 13.412 295 H GLY 41 H GLY 41 10.897 -15.207 6.006 296 HA2 GLY 41 2HA GLY 41 9.982 -17.342 4.316 297 HA3 GLY 41 1HA GLY 41 11.166 -16.111 3.894 298 H GLU 42 H GLU 42 10.717 -19.245 5.422 299 HA GLU 42 HA GLU 42 13.468 -19.594 6.140 300 HB2 GLU 42 2HB GLU 42 12.802 -21.844 6.810 301 HB3 GLU 42 1HB GLU 42 11.666 -20.645 7.415 302 HG2 GLU 42 2HG GLU 42 10.088 -21.214 5.647 303 HG3 GLU 42 1HG GLU 42 11.235 -22.374 4.979 304 H GLY 43 H GLY 43 14.316 -22.009 5.529 305 HA2 GLY 43 2HA GLY 43 14.956 -23.517 3.857 306 HA3 GLY 43 1HA GLY 43 14.017 -22.597 2.693 307 HA PRO 44 HA PRO 44 18.562 -21.585 2.000 308 HB2 PRO 44 2HB PRO 44 18.653 -22.429 -0.588 309 HB3 PRO 44 1HB PRO 44 19.027 -23.487 0.777 310 HG2 PRO 44 2HG PRO 44 16.478 -23.245 -0.787 311 HG3 PRO 44 1HG PRO 44 17.318 -24.709 -0.244 312 HD2 PRO 44 2HD PRO 44 15.174 -23.709 1.064 313 HD3 PRO 44 1HD PRO 44 16.497 -24.536 1.911 314 HA PRO 45 HA PRO 45 17.593 -17.641 0.211 315 HB2 PRO 45 2HB PRO 45 19.644 -17.437 -1.703 316 HB3 PRO 45 1HB PRO 45 19.735 -16.931 -0.014 317 HG2 PRO 45 2HG PRO 45 20.677 -19.467 -1.288 318 HG3 PRO 45 1HG PRO 45 21.422 -18.515 0.010 319 HD2 PRO 45 2HD PRO 45 20.122 -20.784 0.554 320 HD3 PRO 45 1HD PRO 45 19.986 -19.383 1.638 321 HA PRO 46 HA PRO 46 15.039 -19.131 -3.231 322 HB2 PRO 46 2HB PRO 46 14.022 -16.336 -3.112 323 HB3 PRO 46 1HB PRO 46 13.135 -17.864 -3.040 324 HG2 PRO 46 2HG PRO 46 13.477 -16.380 -0.847 325 HG3 PRO 46 1HG PRO 46 13.552 -18.149 -0.771 326 HD2 PRO 46 2HD PRO 46 15.796 -16.160 -0.777 327 HD3 PRO 46 1HD PRO 46 15.608 -17.643 0.184 328 HA PRO 47 HA PRO 47 17.743 -17.536 -6.480 329 HB2 PRO 47 2HB PRO 47 16.363 -18.764 -8.551 330 HB3 PRO 47 1HB PRO 47 17.628 -19.530 -7.588 331 HG2 PRO 47 2HG PRO 47 14.654 -19.717 -7.303 332 HG3 PRO 47 1HG PRO 47 15.877 -20.994 -7.157 333 HD2 PRO 47 2HD PRO 47 14.761 -19.889 -4.984 334 HD3 PRO 47 1HD PRO 47 16.481 -20.339 -5.001 335 H VAL 48 H VAL 48 14.181 -17.493 -6.876 336 HA VAL 48 HA VAL 48 14.444 -14.830 -8.147 337 HB VAL 48 HB VAL 48 12.203 -16.788 -8.703 338 HG11 VAL 48 1HG1 VAL 48 11.598 -14.477 -9.111 339 HG12 VAL 48 2HG1 VAL 48 11.774 -15.326 -10.647 340 HG13 VAL 48 3HG1 VAL 48 13.047 -14.239 -10.089 341 HG21 VAL 48 3HG2 VAL 48 14.646 -16.257 -10.400 342 HG22 VAL 48 1HG2 VAL 48 13.275 -17.278 -10.839 343 HG23 VAL 48 2HG2 VAL 48 14.322 -17.736 -9.495 344 HA PRO 49 HA PRO 49 11.454 -13.821 -4.848 345 HB2 PRO 49 2HB PRO 49 13.016 -12.251 -3.378 346 HB3 PRO 49 1HB PRO 49 13.306 -13.994 -3.414 347 HG2 PRO 49 2HG PRO 49 14.889 -11.810 -4.636 348 HG3 PRO 49 1HG PRO 49 15.400 -13.442 -4.175 349 HD2 PRO 49 2HD PRO 49 14.519 -12.470 -6.793 350 HD3 PRO 49 1HD PRO 49 15.261 -14.031 -6.373 351 HA PRO 50 HA PRO 50 11.612 -9.794 -7.379 352 HB2 PRO 50 2HB PRO 50 9.769 -10.163 -9.285 353 HB3 PRO 50 1HB PRO 50 11.383 -10.878 -9.403 354 HG2 PRO 50 2HG PRO 50 8.793 -12.155 -8.633 355 HG3 PRO 50 1HG PRO 50 10.120 -12.812 -9.603 356 HD2 PRO 50 2HD PRO 50 9.675 -13.329 -6.893 357 HD3 PRO 50 1HD PRO 50 11.197 -13.607 -7.760 358 H ALA 51 H ALA 51 8.434 -11.370 -6.696 359 HA ALA 51 HA ALA 51 7.267 -8.674 -6.491 360 HB1 ALA 51 3HB ALA 51 6.288 -10.245 -8.117 361 HB2 ALA 51 1HB ALA 51 5.129 -9.711 -6.898 362 HB3 ALA 51 2HB ALA 51 5.851 -11.316 -6.786 363 H GLN 52 H GLN 52 8.477 -10.879 -4.365 364 HA GLN 52 HA GLN 52 6.462 -11.203 -2.456 365 HB2 GLN 52 2HB GLN 52 8.318 -11.651 -0.843 366 HB3 GLN 52 1HB GLN 52 8.397 -12.581 -2.327 367 HG2 GLN 52 2HG GLN 52 10.130 -11.102 -3.189 368 HG3 GLN 52 1HG GLN 52 10.029 -10.120 -1.728 369 HE21 GLN 52 1HE2 GLN 52 9.788 -13.604 -1.661 370 HE22 GLN 52 2HE2 GLN 52 11.307 -13.881 -0.893 371 H HIS 53 H HIS 53 5.325 -9.643 -1.542 372 HA HIS 53 HA HIS 53 6.772 -7.413 -0.249 373 HB2 HIS 53 2HB HIS 53 4.019 -7.492 -1.487 374 HB3 HIS 53 1HB HIS 53 4.480 -6.246 -0.332 375 HD1 HIS 53 HD1 HIS 53 5.342 -7.505 -3.781 376 HD2 HIS 53 HD2 HIS 53 5.986 -4.178 -1.381 377 HE1 HIS 53 HE1 HIS 53 6.348 -5.775 -5.293 378 HE2 HIS 53 HE2 HIS 53 6.449 -3.696 -3.879 379 HA PRO 54 HA PRO 54 5.617 -8.872 3.700 380 HB2 PRO 54 2HB PRO 54 4.996 -6.582 5.069 381 HB3 PRO 54 1HB PRO 54 6.645 -7.054 4.640 382 HG2 PRO 54 2HG PRO 54 4.801 -5.143 3.243 383 HG3 PRO 54 1HG PRO 54 6.523 -4.954 3.626 384 HD2 PRO 54 2HD PRO 54 5.698 -5.649 1.165 385 HD3 PRO 54 1HD PRO 54 7.189 -6.316 1.864 386 H ASN 55 H ASN 55 3.199 -6.955 2.054 387 HA ASN 55 HA ASN 55 0.965 -6.599 2.339 388 HB2 ASN 55 2HB ASN 55 1.186 -9.461 3.291 389 HB3 ASN 55 1HB ASN 55 -0.358 -8.644 3.073 390 HD21 ASN 55 1HD2 ASN 55 0.399 -7.167 0.740 391 HD22 ASN 55 2HD2 ASN 55 0.526 -8.297 -0.555 392 HA PRO 56 HA PRO 56 1.365 -5.724 6.954 393 HB2 PRO 56 2HB PRO 56 1.643 -3.040 6.793 394 HB3 PRO 56 1HB PRO 56 3.024 -4.137 6.670 395 HG2 PRO 56 2HG PRO 56 1.487 -2.778 4.481 396 HG3 PRO 56 1HG PRO 56 3.243 -2.957 4.670 397 HD2 PRO 56 2HD PRO 56 1.762 -4.554 3.038 398 HD3 PRO 56 1HD PRO 56 3.238 -5.109 3.851 399 H CYS 57 H CYS 57 -0.546 -4.776 4.298 400 HA CYS 57 HA CYS 57 -2.502 -3.226 5.784 401 HB2 CYS 57 2HB CYS 57 -2.791 -4.193 2.935 402 HB3 CYS 57 1HB CYS 57 -3.486 -2.757 3.680 403 HA PRO 58 HA PRO 58 -5.573 -6.296 6.850 404 HB2 PRO 58 2HB PRO 58 -7.335 -4.833 4.900 405 HB3 PRO 58 1HB PRO 58 -7.706 -5.413 6.530 406 HG2 PRO 58 2HG PRO 58 -7.150 -2.847 6.117 407 HG3 PRO 58 1HG PRO 58 -6.541 -3.684 7.557 408 HD2 PRO 58 2HD PRO 58 -5.079 -2.811 5.115 409 HD3 PRO 58 1HD PRO 58 -4.491 -2.992 6.780 410 HA PRO 59 HA PRO 59 -5.025 -9.418 3.716 411 HB2 PRO 59 2HB PRO 59 -7.218 -11.005 4.438 412 HB3 PRO 59 1HB PRO 59 -5.588 -11.124 5.106 413 HG2 PRO 59 2HG PRO 59 -7.995 -9.732 6.207 414 HG3 PRO 59 1HG PRO 59 -6.728 -10.635 7.061 415 HD2 PRO 59 2HD PRO 59 -6.771 -7.955 7.080 416 HD3 PRO 59 1HD PRO 59 -5.236 -8.845 6.994 417 H GLY 60 H GLY 60 -5.626 -9.431 1.627 418 HA2 GLY 60 2HA GLY 60 -7.249 -9.487 -0.145 419 HA3 GLY 60 1HA GLY 60 -8.386 -8.657 0.908 420 H TYR 61 H TYR 61 -5.580 -7.105 1.461 421 HA TYR 61 HA TYR 61 -5.866 -5.230 -0.812 422 HB2 TYR 61 2HB TYR 61 -5.253 -4.638 2.097 423 HB3 TYR 61 1HB TYR 61 -5.038 -3.462 0.805 424 HD1 TYR 61 HD2 TYR 61 -7.578 -5.525 2.570 425 HD2 TYR 61 HD1 TYR 61 -6.879 -2.222 -0.029 426 HE1 TYR 61 HE2 TYR 61 -9.938 -4.865 2.776 427 HE2 TYR 61 HE1 TYR 61 -9.235 -1.556 0.171 428 HH TYR 61 HH TYR 61 -11.345 -2.937 2.504 429 H GLU 62 H GLU 62 -3.974 -4.291 -1.649 430 HA GLU 62 HA GLU 62 -1.445 -5.572 -0.826 431 HB2 GLU 62 2HB GLU 62 -0.737 -5.581 -3.158 432 HB3 GLU 62 1HB GLU 62 -2.249 -6.458 -2.981 433 HG2 GLU 62 2HG GLU 62 -3.491 -4.572 -3.867 434 HG3 GLU 62 1HG GLU 62 -2.013 -3.617 -3.968 435 HA PRO 63 HA PRO 63 0.206 -1.406 -0.695 436 HB2 PRO 63 2HB PRO 63 2.846 -1.899 -0.785 437 HB3 PRO 63 1HB PRO 63 1.863 -2.373 0.605 438 HG2 PRO 63 2HG PRO 63 2.887 -4.047 -1.653 439 HG3 PRO 63 1HG PRO 63 2.770 -4.439 0.071 440 HD2 PRO 63 2HD PRO 63 0.956 -5.243 -1.871 441 HD3 PRO 63 1HD PRO 63 0.610 -5.161 -0.132 442 H ASP 64 H ASP 64 0.396 0.155 -2.198 443 HA ASP 64 HA ASP 64 0.854 -0.599 -4.982 444 HB2 ASP 64 2HB ASP 64 -1.052 0.843 -4.416 445 HB3 ASP 64 1HB ASP 64 0.037 2.045 -3.738 446 H ASP 65 H ASP 65 2.966 -0.704 -5.644 447 HA ASP 65 HA ASP 65 4.990 1.047 -4.511 448 HB2 ASP 65 2HB ASP 65 5.252 -0.798 -6.904 449 HB3 ASP 65 1HB ASP 65 6.558 -0.137 -5.929 450 H GLN 66 H GLN 66 4.786 3.162 -5.158 451 HA GLN 66 HA GLN 66 4.641 3.671 -8.060 452 HB2 GLN 66 2HB GLN 66 3.523 5.792 -7.586 453 HB3 GLN 66 1HB GLN 66 2.618 4.431 -6.938 454 HG2 GLN 66 2HG GLN 66 3.518 4.929 -4.698 455 HG3 GLN 66 1HG GLN 66 4.362 6.327 -5.367 456 HE21 GLN 66 1HE2 GLN 66 1.138 5.232 -6.274 457 HE22 GLN 66 2HE2 GLN 66 0.317 6.632 -5.687 458 H ASP 67 H ASP 67 6.059 5.086 -8.986 459 HA ASP 67 HA ASP 67 8.380 5.813 -7.375 460 HB2 ASP 67 2HB ASP 67 7.933 5.898 -10.369 461 HB3 ASP 67 1HB ASP 67 9.454 6.273 -9.560 462 H SER 68 H SER 68 7.880 7.652 -6.246 463 HA SER 68 HA SER 68 6.601 9.921 -7.515 464 HB2 SER 68 2HB SER 68 6.825 11.018 -5.322 465 HB3 SER 68 1HB SER 68 6.139 9.403 -5.147 466 HG SER 68 HG SER 68 7.945 8.707 -4.210 467 H CYS 69 H CYS 69 7.565 11.720 -8.317 468 HA CYS 69 HA CYS 69 10.492 11.740 -8.464 469 HB2 CYS 69 2HB CYS 69 10.145 13.537 -10.162 470 HB3 CYS 69 1HB CYS 69 9.342 12.021 -10.567 471 H VAL 70 H VAL 70 7.960 13.392 -6.805 472 HA VAL 70 HA VAL 70 9.744 15.628 -6.087 473 HB VAL 70 HB VAL 70 7.728 16.804 -5.320 474 HG11 VAL 70 1HG1 VAL 70 7.475 15.738 -8.137 475 HG12 VAL 70 2HG1 VAL 70 8.460 17.109 -7.625 476 HG13 VAL 70 3HG1 VAL 70 6.702 17.196 -7.511 477 HG21 VAL 70 3HG2 VAL 70 5.485 15.874 -5.810 478 HG22 VAL 70 1HG2 VAL 70 6.365 14.919 -4.617 479 HG23 VAL 70 2HG2 VAL 70 6.238 14.350 -6.282 480 H ASP 71 H ASP 71 9.361 16.483 -3.779 481 HA ASP 71 HA ASP 71 9.344 14.213 -1.897 482 HB2 ASP 71 2HB ASP 71 10.495 17.004 -1.635 483 HB3 ASP 71 1HB ASP 71 10.456 15.831 -0.323 Start of MODEL 13 1 H1 SER 1 1H SER 1 -4.114 -1.211 -18.941 2 H2 SER 1 2H SER 1 -5.765 -1.091 -19.252 3 H3 SER 1 3H SER 1 -5.228 -1.865 -17.852 4 HA SER 1 HA SER 1 -4.859 1.012 -18.473 5 HB2 SER 1 2HB SER 1 -6.529 1.384 -16.663 6 HB3 SER 1 1HB SER 1 -7.209 0.515 -18.037 7 HG SER 1 HG SER 1 -7.564 -0.263 -15.726 8 H ASP 2 H ASP 2 -2.954 -1.130 -17.503 9 HA ASP 2 HA ASP 2 -2.471 -0.390 -14.729 10 HB2 ASP 2 2HB ASP 2 -1.011 -2.303 -16.566 11 HB3 ASP 2 1HB ASP 2 -0.689 -2.100 -14.845 12 H VAL 3 H VAL 3 -1.178 0.300 -17.906 13 HA VAL 3 HA VAL 3 1.387 1.170 -17.110 14 HB VAL 3 HB VAL 3 1.001 0.582 -19.408 15 HG11 VAL 3 1HG1 VAL 3 -1.330 1.253 -19.631 16 HG12 VAL 3 2HG1 VAL 3 -0.358 1.941 -20.931 17 HG13 VAL 3 3HG1 VAL 3 -0.865 2.953 -19.578 18 HG21 VAL 3 3HG2 VAL 3 2.786 2.191 -18.977 19 HG22 VAL 3 1HG2 VAL 3 1.652 3.528 -19.174 20 HG23 VAL 3 2HG2 VAL 3 2.041 2.491 -20.546 21 H ASN 4 H ASN 4 1.004 2.456 -15.251 22 HA ASN 4 HA ASN 4 0.367 5.276 -15.898 23 HB2 ASN 4 2HB ASN 4 -0.168 3.673 -13.407 24 HB3 ASN 4 1HB ASN 4 0.079 5.409 -13.284 25 HD21 ASN 4 1HD2 ASN 4 -1.449 4.088 -16.115 26 HD22 ASN 4 2HD2 ASN 4 -3.036 4.637 -15.745 27 H GLU 5 H GLU 5 2.242 6.328 -16.166 28 HA GLU 5 HA GLU 5 4.700 5.376 -15.001 29 HB2 GLU 5 2HB GLU 5 4.215 7.925 -16.555 30 HB3 GLU 5 1HB GLU 5 5.767 7.164 -16.249 31 HG2 GLU 5 2HG GLU 5 5.080 5.237 -17.595 32 HG3 GLU 5 1HG GLU 5 3.528 6.019 -17.907 33 H CYS 6 H CYS 6 6.156 7.595 -14.378 34 HA CYS 6 HA CYS 6 5.247 8.040 -11.676 35 HB2 CYS 6 2HB CYS 6 7.622 7.583 -12.263 36 HB3 CYS 6 1HB CYS 6 7.698 9.147 -13.067 37 H LEU 7 H LEU 7 3.743 9.416 -13.920 38 HA LEU 7 HA LEU 7 4.102 12.221 -13.045 39 HB2 LEU 7 2HB LEU 7 3.405 13.000 -15.134 40 HB3 LEU 7 1HB LEU 7 4.459 11.653 -15.510 41 HG LEU 7 HG LEU 7 1.431 11.534 -15.540 42 HD11 LEU 7 1HD1 LEU 7 2.267 12.980 -17.310 43 HD12 LEU 7 2HD1 LEU 7 1.639 11.473 -17.975 44 HD13 LEU 7 3HD1 LEU 7 3.379 11.717 -17.836 45 HD21 LEU 7 3HD2 LEU 7 2.341 9.354 -15.085 46 HD22 LEU 7 1HD2 LEU 7 3.511 9.527 -16.394 47 HD23 LEU 7 2HD2 LEU 7 1.791 9.402 -16.757 48 H THR 8 H THR 8 2.286 9.800 -12.146 49 HA THR 8 HA THR 8 -0.402 10.595 -12.659 50 HB THR 8 HB THR 8 0.094 8.279 -12.108 51 HG1 THR 8 HG1 THR 8 -1.365 8.773 -9.852 52 HG21 THR 8 3HG2 THR 8 0.740 7.591 -9.852 53 HG22 THR 8 1HG2 THR 8 0.822 9.277 -9.344 54 HG23 THR 8 2HG2 THR 8 1.962 8.661 -10.542 55 H ILE 9 H ILE 9 -1.980 11.007 -10.839 56 HA ILE 9 HA ILE 9 -1.121 13.302 -9.283 57 HB ILE 9 HB ILE 9 -3.834 11.960 -9.493 58 HG12 ILE 9 2HG1 ILE 9 -3.082 12.960 -11.611 59 HG13 ILE 9 1HG1 ILE 9 -4.433 13.862 -10.933 60 HG21 ILE 9 1HG2 ILE 9 -4.726 14.018 -8.464 61 HG22 ILE 9 2HG2 ILE 9 -3.078 14.594 -8.218 62 HG23 ILE 9 3HG2 ILE 9 -3.639 13.147 -7.381 63 HD11 ILE 9 3HD1 ILE 9 -1.527 14.651 -10.797 64 HD12 ILE 9 1HD1 ILE 9 -2.870 15.555 -10.101 65 HD13 ILE 9 2HD1 ILE 9 -2.757 15.351 -11.848 66 HA PRO 10 HA PRO 10 -0.064 10.987 -5.585 67 HB2 PRO 10 2HB PRO 10 -1.053 13.485 -4.262 68 HB3 PRO 10 1HB PRO 10 0.454 12.595 -4.005 69 HG2 PRO 10 2HG PRO 10 0.466 14.847 -5.409 70 HG3 PRO 10 1HG PRO 10 1.451 13.462 -5.922 71 HD2 PRO 10 2HD PRO 10 -1.138 14.472 -7.046 72 HD3 PRO 10 1HD PRO 10 0.265 13.777 -7.886 73 H GLU 11 H GLU 11 -1.833 9.482 -5.824 74 HA GLU 11 HA GLU 11 -4.375 9.990 -4.535 75 HB2 GLU 11 2HB GLU 11 -3.130 7.357 -5.364 76 HB3 GLU 11 1HB GLU 11 -4.812 7.613 -4.923 77 HG2 GLU 11 2HG GLU 11 -5.178 8.936 -6.901 78 HG3 GLU 11 1HG GLU 11 -3.462 8.857 -7.314 79 H ALA 12 H ALA 12 -1.282 9.306 -3.444 80 HA ALA 12 HA ALA 12 -2.021 7.503 -1.292 81 HB1 ALA 12 3HB ALA 12 0.363 7.412 -0.815 82 HB2 ALA 12 1HB ALA 12 0.660 8.724 -1.957 83 HB3 ALA 12 2HB ALA 12 0.072 7.167 -2.537 84 H CYS 13 H CYS 13 -0.940 8.002 0.889 85 HA CYS 13 HA CYS 13 -1.906 10.643 1.732 86 HB2 CYS 13 2HB CYS 13 -1.416 8.063 3.233 87 HB3 CYS 13 1HB CYS 13 -1.808 9.577 4.036 88 H LYS 14 H LYS 14 -0.610 12.116 2.787 89 HA LYS 14 HA LYS 14 2.114 12.078 2.053 90 HB2 LYS 14 2HB LYS 14 0.769 14.141 2.288 91 HB3 LYS 14 1HB LYS 14 0.741 13.910 4.032 92 HG2 LYS 14 2HG LYS 14 3.148 14.180 4.141 93 HG3 LYS 14 1HG LYS 14 3.237 14.310 2.383 94 HD2 LYS 14 2HD LYS 14 1.842 16.354 2.495 95 HD3 LYS 14 1HD LYS 14 1.834 16.228 4.255 96 HE2 LYS 14 2HE LYS 14 4.265 16.480 4.296 97 HE3 LYS 14 1HE LYS 14 4.298 16.569 2.535 98 HZ1 LYS 14 3HZ LYS 14 2.894 18.488 4.313 99 HZ2 LYS 14 1HZ LYS 14 3.014 18.594 2.628 100 HZ3 LYS 14 2HZ LYS 14 4.397 18.761 3.593 101 H GLY 15 H GLY 15 3.834 11.211 3.007 102 HA2 GLY 15 2HA GLY 15 5.292 10.508 4.659 103 HA3 GLY 15 1HA GLY 15 4.202 11.186 5.858 104 H GLU 16 H GLU 16 2.464 9.153 3.857 105 HA GLU 16 HA GLU 16 2.881 6.797 5.561 106 HB2 GLU 16 2HB GLU 16 0.182 8.082 5.045 107 HB3 GLU 16 1HB GLU 16 0.448 6.572 5.909 108 HG2 GLU 16 2HG GLU 16 1.779 7.812 7.594 109 HG3 GLU 16 1HG GLU 16 1.389 9.309 6.751 110 H MET 17 H MET 17 1.678 4.845 4.687 111 HA MET 17 HA MET 17 2.300 4.761 1.828 112 HB2 MET 17 2HB MET 17 1.747 2.518 3.774 113 HB3 MET 17 1HB MET 17 2.276 2.317 2.110 114 HG2 MET 17 2HG MET 17 4.366 3.457 2.622 115 HG3 MET 17 1HG MET 17 3.841 3.687 4.289 116 HE1 MET 17 3HE MET 17 2.279 0.802 4.598 117 HE2 MET 17 1HE MET 17 3.199 1.609 5.872 118 HE3 MET 17 2HE MET 17 3.545 -0.070 5.464 119 H LYS 18 H LYS 18 0.962 3.825 0.259 120 HA LYS 18 HA LYS 18 -1.922 4.054 0.805 121 HB2 LYS 18 2HB LYS 18 -1.208 5.518 -0.937 122 HB3 LYS 18 1HB LYS 18 -0.278 4.247 -1.724 123 HG2 LYS 18 2HG LYS 18 -2.475 3.073 -2.170 124 HG3 LYS 18 1HG LYS 18 -3.275 4.549 -1.620 125 HD2 LYS 18 2HD LYS 18 -2.207 5.830 -3.387 126 HD3 LYS 18 1HD LYS 18 -1.268 4.421 -3.884 127 HE2 LYS 18 2HE LYS 18 -3.509 3.273 -4.301 128 HE3 LYS 18 1HE LYS 18 -4.236 4.872 -4.142 129 HZ1 LYS 18 3HZ LYS 18 -2.810 5.626 -5.976 130 HZ2 LYS 18 1HZ LYS 18 -3.813 4.351 -6.452 131 HZ3 LYS 18 2HZ LYS 18 -2.178 4.069 -6.131 132 H CYS 19 H CYS 19 -3.067 2.241 1.006 133 HA CYS 19 HA CYS 19 -2.091 -0.261 -0.224 134 HB2 CYS 19 2HB CYS 19 -3.932 0.065 2.159 135 HB3 CYS 19 1HB CYS 19 -3.327 -1.456 1.516 136 H ILE 20 H ILE 20 -3.204 -0.843 -1.985 137 HA ILE 20 HA ILE 20 -6.152 -0.593 -1.944 138 HB ILE 20 HB ILE 20 -6.192 -0.163 -4.355 139 HG12 ILE 20 2HG1 ILE 20 -3.176 0.074 -4.156 140 HG13 ILE 20 1HG1 ILE 20 -4.043 -1.243 -4.939 141 HG21 ILE 20 1HG2 ILE 20 -4.497 1.841 -2.863 142 HG22 ILE 20 2HG2 ILE 20 -6.258 1.737 -2.827 143 HG23 ILE 20 3HG2 ILE 20 -5.431 2.160 -4.326 144 HD11 ILE 20 3HD1 ILE 20 -4.964 0.345 -6.561 145 HD12 ILE 20 1HD1 ILE 20 -3.200 0.329 -6.574 146 HD13 ILE 20 2HD1 ILE 20 -4.065 1.647 -5.782 147 H ASN 21 H ASN 21 -7.232 -2.187 -3.424 148 HA ASN 21 HA ASN 21 -5.561 -4.595 -3.815 149 HB2 ASN 21 2HB ASN 21 -7.534 -5.984 -3.209 150 HB3 ASN 21 1HB ASN 21 -6.934 -5.003 -1.878 151 HD21 ASN 21 1HD2 ASN 21 -8.985 -5.291 -0.890 152 HD22 ASN 21 2HD2 ASN 21 -10.338 -4.336 -1.380 153 H HIS 22 H HIS 22 -6.618 -6.228 -5.299 154 HA HIS 22 HA HIS 22 -7.157 -5.100 -7.820 155 HB2 HIS 22 2HB HIS 22 -7.474 -7.887 -6.713 156 HB3 HIS 22 1HB HIS 22 -7.928 -7.500 -8.369 157 HD1 HIS 22 HD1 HIS 22 -4.848 -7.488 -6.126 158 HD2 HIS 22 HD2 HIS 22 -5.867 -7.487 -10.157 159 HE1 HIS 22 HE1 HIS 22 -2.700 -7.842 -7.363 160 HE2 HIS 22 HE2 HIS 22 -3.316 -7.709 -9.791 161 H TYR 23 H TYR 23 -9.256 -5.534 -5.161 162 HA TYR 23 HA TYR 23 -11.711 -5.704 -6.646 163 HB2 TYR 23 2HB TYR 23 -11.088 -5.129 -3.750 164 HB3 TYR 23 1HB TYR 23 -12.730 -5.057 -4.382 165 HD1 TYR 23 HD1 TYR 23 -9.795 -7.382 -4.451 166 HD2 TYR 23 HD2 TYR 23 -14.018 -6.962 -4.139 167 HE1 TYR 23 HE1 TYR 23 -10.010 -9.804 -4.147 168 HE2 TYR 23 HE2 TYR 23 -14.242 -9.387 -3.829 169 HH TYR 23 HH TYR 23 -13.060 -11.416 -4.250 170 H GLY 24 H GLY 24 -9.630 -3.124 -5.599 171 HA2 GLY 24 2HA GLY 24 -9.743 -1.001 -6.735 172 HA3 GLY 24 1HA GLY 24 -11.488 -1.167 -6.804 173 H GLY 25 H GLY 25 -10.246 -2.054 -3.769 174 HA2 GLY 25 2HA GLY 25 -11.458 0.242 -2.507 175 HA3 GLY 25 1HA GLY 25 -10.702 -1.119 -1.697 176 H TYR 26 H TYR 26 -10.401 1.572 -0.877 177 HA TYR 26 HA TYR 26 -7.520 1.997 -1.362 178 HB2 TYR 26 2HB TYR 26 -8.629 3.683 -2.664 179 HB3 TYR 26 1HB TYR 26 -9.699 4.097 -1.330 180 HD1 TYR 26 HD2 TYR 26 -6.119 4.169 -2.383 181 HD2 TYR 26 HD1 TYR 26 -9.094 5.783 0.205 182 HE1 TYR 26 HE2 TYR 26 -4.539 5.903 -1.644 183 HE2 TYR 26 HE1 TYR 26 -7.518 7.514 0.948 184 HH TYR 26 HH TYR 26 -5.013 7.794 1.083 185 H LEU 27 H LEU 27 -6.342 2.050 0.430 186 HA LEU 27 HA LEU 27 -7.432 3.202 2.910 187 HB2 LEU 27 2HB LEU 27 -6.024 0.526 2.709 188 HB3 LEU 27 1HB LEU 27 -6.303 1.375 4.217 189 HG LEU 27 HG LEU 27 -8.469 0.325 2.383 190 HD11 LEU 27 1HD1 LEU 27 -7.224 -1.470 3.497 191 HD12 LEU 27 2HD1 LEU 27 -8.868 -1.339 4.119 192 HD13 LEU 27 3HD1 LEU 27 -7.518 -0.707 5.061 193 HD21 LEU 27 3HD2 LEU 27 -8.657 1.595 5.119 194 HD22 LEU 27 1HD2 LEU 27 -9.997 0.885 4.217 195 HD23 LEU 27 2HD2 LEU 27 -9.181 2.321 3.598 196 H CYS 28 H CYS 28 -5.767 3.951 4.401 197 HA CYS 28 HA CYS 28 -3.029 4.017 3.277 198 HB2 CYS 28 2HB CYS 28 -4.526 6.234 4.676 199 HB3 CYS 28 1HB CYS 28 -2.770 6.219 4.564 200 H LEU 29 H LEU 29 -1.359 3.558 4.645 201 HA LEU 29 HA LEU 29 -2.078 2.855 7.424 202 HB2 LEU 29 2HB LEU 29 0.101 1.693 5.681 203 HB3 LEU 29 1HB LEU 29 -0.166 1.283 7.366 204 HG LEU 29 HG LEU 29 -2.029 0.704 5.056 205 HD11 LEU 29 1HD1 LEU 29 -1.544 -1.630 5.583 206 HD12 LEU 29 2HD1 LEU 29 -0.439 -1.124 6.862 207 HD13 LEU 29 3HD1 LEU 29 -0.069 -0.751 5.178 208 HD21 LEU 29 3HD2 LEU 29 -3.422 -0.467 6.709 209 HD22 LEU 29 1HD2 LEU 29 -3.330 1.263 7.034 210 HD23 LEU 29 2HD2 LEU 29 -2.385 0.134 8.004 211 HA PRO 30 HA PRO 30 0.784 5.955 8.895 212 HB2 PRO 30 2HB PRO 30 1.431 4.747 11.290 213 HB3 PRO 30 1HB PRO 30 -0.034 5.696 11.020 214 HG2 PRO 30 2HG PRO 30 0.335 2.723 10.962 215 HG3 PRO 30 1HG PRO 30 -0.981 3.675 11.676 216 HD2 PRO 30 2HD PRO 30 -1.276 2.444 9.310 217 HD3 PRO 30 1HD PRO 30 -2.006 4.035 9.617 218 H ARG 31 H ARG 31 3.029 6.268 9.045 219 HA ARG 31 HA ARG 31 4.568 4.404 7.548 220 HB2 ARG 31 2HB ARG 31 4.843 6.908 7.553 221 HB3 ARG 31 1HB ARG 31 5.601 6.766 9.134 222 HG2 ARG 31 2HG ARG 31 7.373 5.383 8.166 223 HG3 ARG 31 1HG ARG 31 6.604 5.508 6.582 224 HD2 ARG 31 2HD ARG 31 6.861 8.010 6.776 225 HD3 ARG 31 1HD ARG 31 7.850 7.722 8.208 226 HE ARG 31 HE ARG 31 8.798 6.213 6.009 227 HH11 ARG 31 1HH1 ARG 31 8.824 9.390 7.349 228 HH12 ARG 31 2HH1 ARG 31 10.211 9.871 6.437 229 HH21 ARG 31 1HH2 ARG 31 10.593 6.843 4.869 230 HH22 ARG 31 2HH2 ARG 31 11.208 8.447 5.074 231 H SER 32 H SER 32 3.754 4.321 10.777 232 HA SER 32 HA SER 32 6.008 3.335 12.083 233 HB2 SER 32 2HB SER 32 3.128 2.439 12.413 234 HB3 SER 32 1HB SER 32 4.429 2.136 13.563 235 HG SER 32 HG SER 32 4.414 4.193 14.170 236 H ALA 33 H ALA 33 3.975 1.824 9.675 237 HA ALA 33 HA ALA 33 5.382 -0.730 9.859 238 HB1 ALA 33 3HB ALA 33 3.953 -1.409 7.987 239 HB2 ALA 33 1HB ALA 33 3.321 0.234 7.864 240 HB3 ALA 33 2HB ALA 33 2.994 -0.732 9.302 241 H ALA 34 H ALA 34 7.180 -1.201 8.681 242 HA ALA 34 HA ALA 34 8.368 0.972 7.155 243 HB1 ALA 34 3HB ALA 34 9.550 -1.684 7.959 244 HB2 ALA 34 1HB ALA 34 9.668 -0.187 8.882 245 HB3 ALA 34 2HB ALA 34 10.427 -0.305 7.294 246 H VAL 35 H VAL 35 9.340 0.725 5.090 247 HA VAL 35 HA VAL 35 7.806 -1.026 3.319 248 HB VAL 35 HB VAL 35 8.682 0.311 1.478 249 HG11 VAL 35 1HG1 VAL 35 7.670 2.475 2.055 250 HG12 VAL 35 2HG1 VAL 35 7.681 2.020 3.760 251 HG13 VAL 35 3HG1 VAL 35 6.691 1.118 2.612 252 HG21 VAL 35 3HG2 VAL 35 10.266 1.810 3.573 253 HG22 VAL 35 1HG2 VAL 35 10.138 2.249 1.869 254 HG23 VAL 35 2HG2 VAL 35 10.930 0.744 2.335 255 H ILE 36 H ILE 36 10.468 -1.545 5.035 256 HA ILE 36 HA ILE 36 12.469 -2.345 3.256 257 HB ILE 36 HB ILE 36 13.180 -3.930 5.158 258 HG12 ILE 36 2HG1 ILE 36 12.152 -3.203 7.396 259 HG13 ILE 36 1HG1 ILE 36 10.823 -2.538 6.461 260 HG21 ILE 36 1HG2 ILE 36 14.016 -2.053 6.504 261 HG22 ILE 36 2HG2 ILE 36 12.894 -0.970 5.681 262 HG23 ILE 36 3HG2 ILE 36 14.188 -1.753 4.774 263 HD11 ILE 36 3HD1 ILE 36 10.277 -4.745 5.626 264 HD12 ILE 36 1HD1 ILE 36 10.315 -4.736 7.388 265 HD13 ILE 36 2HD1 ILE 36 11.658 -5.430 6.481 266 H ASN 37 H ASN 37 13.118 -4.403 2.452 267 HA ASN 37 HA ASN 37 10.794 -6.002 1.660 268 HB2 ASN 37 2HB ASN 37 12.573 -4.991 0.047 269 HB3 ASN 37 1HB ASN 37 13.581 -6.342 0.554 270 HD21 ASN 37 1HD2 ASN 37 12.896 -8.471 0.028 271 HD22 ASN 37 2HD2 ASN 37 11.769 -8.750 -1.252 272 H ASP 38 H ASP 38 11.764 -6.370 4.339 273 HA ASP 38 HA ASP 38 13.208 -8.894 4.322 274 HB2 ASP 38 2HB ASP 38 12.148 -7.222 6.611 275 HB3 ASP 38 1HB ASP 38 13.044 -8.727 6.811 276 H LEU 39 H LEU 39 11.870 -10.349 3.407 277 HA LEU 39 HA LEU 39 9.353 -10.968 4.791 278 HB2 LEU 39 2HB LEU 39 8.610 -12.154 2.838 279 HB3 LEU 39 1HB LEU 39 9.119 -10.550 2.377 280 HG LEU 39 HG LEU 39 9.769 -12.017 0.632 281 HD11 LEU 39 1HD1 LEU 39 12.324 -11.616 2.158 282 HD12 LEU 39 2HD1 LEU 39 11.474 -10.330 1.300 283 HD13 LEU 39 3HD1 LEU 39 12.099 -11.718 0.411 284 HD21 LEU 39 3HD2 LEU 39 11.151 -14.004 0.917 285 HD22 LEU 39 1HD2 LEU 39 9.624 -14.141 1.788 286 HD23 LEU 39 2HD2 LEU 39 11.112 -13.787 2.666 287 H HIS 40 H HIS 40 8.832 -13.297 5.082 288 HA HIS 40 HA HIS 40 11.272 -14.783 5.819 289 HB2 HIS 40 2HB HIS 40 8.470 -14.842 6.937 290 HB3 HIS 40 1HB HIS 40 9.652 -16.095 7.302 291 HD1 HIS 40 HD1 HIS 40 11.562 -15.507 8.886 292 HD2 HIS 40 HD2 HIS 40 8.997 -12.327 8.124 293 HE1 HIS 40 HE1 HIS 40 12.149 -13.750 10.576 294 HE2 HIS 40 HE2 HIS 40 10.483 -11.907 10.200 295 H GLY 41 H GLY 41 11.840 -16.225 4.341 296 HA2 GLY 41 2HA GLY 41 9.771 -17.877 3.031 297 HA3 GLY 41 1HA GLY 41 11.438 -17.709 2.501 298 H GLU 42 H GLU 42 9.877 -20.171 3.104 299 HA GLU 42 HA GLU 42 10.837 -21.186 5.606 300 HB2 GLU 42 2HB GLU 42 8.734 -21.994 4.639 301 HB3 GLU 42 1HB GLU 42 9.608 -22.656 3.264 302 HG2 GLU 42 2HG GLU 42 10.728 -24.258 4.681 303 HG3 GLU 42 1HG GLU 42 10.008 -23.536 6.120 304 H GLY 43 H GLY 43 13.081 -20.829 5.458 305 HA2 GLY 43 2HA GLY 43 15.227 -21.615 5.315 306 HA3 GLY 43 1HA GLY 43 14.544 -23.153 4.829 307 HA PRO 44 HA PRO 44 16.858 -22.626 1.036 308 HB2 PRO 44 2HB PRO 44 14.701 -24.401 -0.032 309 HB3 PRO 44 1HB PRO 44 16.458 -24.564 -0.153 310 HG2 PRO 44 2HG PRO 44 15.091 -26.084 1.542 311 HG3 PRO 44 1HG PRO 44 16.658 -25.399 2.015 312 HD2 PRO 44 2HD PRO 44 13.897 -24.527 2.784 313 HD3 PRO 44 1HD PRO 44 15.376 -24.588 3.768 314 HA PRO 45 HA PRO 45 14.691 -19.330 -1.093 315 HB2 PRO 45 2HB PRO 45 16.393 -20.207 -3.389 316 HB3 PRO 45 1HB PRO 45 16.185 -18.594 -2.694 317 HG2 PRO 45 2HG PRO 45 18.400 -19.989 -2.209 318 HG3 PRO 45 1HG PRO 45 17.640 -19.028 -0.925 319 HD2 PRO 45 2HD PRO 45 17.575 -21.990 -1.366 320 HD3 PRO 45 1HD PRO 45 17.691 -21.077 0.154 321 HA PRO 46 HA PRO 46 11.584 -21.708 -3.284 322 HB2 PRO 46 2HB PRO 46 9.992 -19.642 -4.047 323 HB3 PRO 46 1HB PRO 46 10.044 -20.243 -2.384 324 HG2 PRO 46 2HG PRO 46 11.426 -17.863 -3.582 325 HG3 PRO 46 1HG PRO 46 10.577 -18.000 -2.029 326 HD2 PRO 46 2HD PRO 46 13.282 -18.121 -2.237 327 HD3 PRO 46 1HD PRO 46 12.378 -19.003 -0.989 328 HA PRO 47 HA PRO 47 12.854 -21.835 -7.556 329 HB2 PRO 47 2HB PRO 47 9.919 -22.083 -8.113 330 HB3 PRO 47 1HB PRO 47 11.263 -23.074 -8.698 331 HG2 PRO 47 2HG PRO 47 9.689 -23.971 -6.757 332 HG3 PRO 47 1HG PRO 47 11.442 -24.247 -6.693 333 HD2 PRO 47 2HD PRO 47 9.771 -22.299 -5.156 334 HD3 PRO 47 1HD PRO 47 11.210 -23.204 -4.642 335 H VAL 48 H VAL 48 9.805 -20.040 -7.059 336 HA VAL 48 HA VAL 48 10.788 -17.916 -8.868 337 HB VAL 48 HB VAL 48 7.908 -18.569 -8.169 338 HG11 VAL 48 1HG1 VAL 48 7.335 -17.025 -9.989 339 HG12 VAL 48 2HG1 VAL 48 9.044 -16.658 -10.219 340 HG13 VAL 48 3HG1 VAL 48 8.241 -16.211 -8.713 341 HG21 VAL 48 3HG2 VAL 48 9.447 -19.172 -10.700 342 HG22 VAL 48 1HG2 VAL 48 7.719 -19.437 -10.459 343 HG23 VAL 48 2HG2 VAL 48 8.893 -20.352 -9.512 344 HA PRO 49 HA PRO 49 10.455 -15.385 -5.125 345 HB2 PRO 49 2HB PRO 49 11.688 -13.191 -6.031 346 HB3 PRO 49 1HB PRO 49 12.583 -14.690 -5.745 347 HG2 PRO 49 2HG PRO 49 11.625 -13.515 -8.323 348 HG3 PRO 49 1HG PRO 49 13.147 -14.352 -7.971 349 HD2 PRO 49 2HD PRO 49 10.889 -15.502 -9.163 350 HD3 PRO 49 1HD PRO 49 12.230 -16.395 -8.418 351 HA PRO 50 HA PRO 50 6.844 -13.031 -6.691 352 HB2 PRO 50 2HB PRO 50 5.052 -13.883 -4.835 353 HB3 PRO 50 1HB PRO 50 5.474 -14.820 -6.271 354 HG2 PRO 50 2HG PRO 50 6.145 -15.332 -3.463 355 HG3 PRO 50 1HG PRO 50 6.210 -16.431 -4.850 356 HD2 PRO 50 2HD PRO 50 8.377 -14.943 -3.593 357 HD3 PRO 50 1HD PRO 50 8.466 -16.192 -4.849 358 H ALA 51 H ALA 51 8.155 -13.149 -3.419 359 HA ALA 51 HA ALA 51 6.623 -10.889 -2.487 360 HB1 ALA 51 3HB ALA 51 7.252 -12.692 -0.955 361 HB2 ALA 51 1HB ALA 51 7.877 -11.132 -0.414 362 HB3 ALA 51 2HB ALA 51 8.955 -12.295 -1.185 363 H GLN 52 H GLN 52 7.311 -9.456 -4.242 364 HA GLN 52 HA GLN 52 9.995 -8.321 -3.982 365 HB2 GLN 52 2HB GLN 52 7.740 -7.620 -5.878 366 HB3 GLN 52 1HB GLN 52 9.368 -6.954 -5.939 367 HG2 GLN 52 2HG GLN 52 10.261 -9.209 -6.358 368 HG3 GLN 52 1HG GLN 52 8.619 -9.848 -6.334 369 HE21 GLN 52 1HE2 GLN 52 8.757 -10.595 -8.444 370 HE22 GLN 52 2HE2 GLN 52 8.751 -9.535 -9.805 371 H HIS 53 H HIS 53 7.309 -7.996 -2.266 372 HA HIS 53 HA HIS 53 8.046 -5.313 -1.373 373 HB2 HIS 53 2HB HIS 53 5.216 -6.134 -2.086 374 HB3 HIS 53 1HB HIS 53 5.599 -4.718 -1.121 375 HD1 HIS 53 HD1 HIS 53 5.616 -5.998 -4.623 376 HD2 HIS 53 HD2 HIS 53 6.625 -2.540 -2.556 377 HE1 HIS 53 HE1 HIS 53 5.953 -4.241 -6.379 378 HE2 HIS 53 HE2 HIS 53 6.291 -2.113 -5.081 379 HA PRO 54 HA PRO 54 7.533 -7.114 2.704 380 HB2 PRO 54 2HB PRO 54 6.519 -4.931 4.059 381 HB3 PRO 54 1HB PRO 54 8.233 -5.177 3.708 382 HG2 PRO 54 2HG PRO 54 6.214 -3.523 2.232 383 HG3 PRO 54 1HG PRO 54 7.887 -3.122 2.664 384 HD2 PRO 54 2HD PRO 54 7.258 -3.902 0.182 385 HD3 PRO 54 1HD PRO 54 8.775 -4.431 0.945 386 H ASN 55 H ASN 55 4.902 -5.512 1.076 387 HA ASN 55 HA ASN 55 2.653 -5.462 1.311 388 HB2 ASN 55 2HB ASN 55 3.225 -8.353 1.975 389 HB3 ASN 55 1HB ASN 55 1.594 -7.724 1.749 390 HD21 ASN 55 1HD2 ASN 55 1.196 -8.940 -0.088 391 HD22 ASN 55 2HD2 ASN 55 1.981 -8.638 -1.595 392 HA PRO 56 HA PRO 56 2.932 -4.879 5.968 393 HB2 PRO 56 2HB PRO 56 2.558 -2.187 5.937 394 HB3 PRO 56 1HB PRO 56 4.152 -2.931 5.765 395 HG2 PRO 56 2HG PRO 56 2.311 -1.893 3.634 396 HG3 PRO 56 1HG PRO 56 4.059 -1.644 3.817 397 HD2 PRO 56 2HD PRO 56 3.045 -3.471 2.109 398 HD3 PRO 56 1HD PRO 56 4.572 -3.741 2.974 399 H CYS 57 H CYS 57 0.698 -4.261 3.449 400 HA CYS 57 HA CYS 57 -1.419 -3.244 5.155 401 HB2 CYS 57 2HB CYS 57 -1.700 -4.118 2.273 402 HB3 CYS 57 1HB CYS 57 -2.669 -2.939 3.151 403 HA PRO 58 HA PRO 58 -3.035 -7.169 6.465 404 HB2 PRO 58 2HB PRO 58 -5.668 -5.802 6.035 405 HB3 PRO 58 1HB PRO 58 -5.087 -6.711 7.438 406 HG2 PRO 58 2HG PRO 58 -5.139 -4.056 7.499 407 HG3 PRO 58 1HG PRO 58 -3.776 -4.946 8.204 408 HD2 PRO 58 2HD PRO 58 -3.922 -3.432 5.630 409 HD3 PRO 58 1HD PRO 58 -2.565 -3.607 6.762 410 HA PRO 59 HA PRO 59 -3.636 -9.338 2.552 411 HB2 PRO 59 2HB PRO 59 -5.095 -11.115 4.498 412 HB3 PRO 59 1HB PRO 59 -4.005 -11.563 3.176 413 HG2 PRO 59 2HG PRO 59 -3.111 -11.522 5.673 414 HG3 PRO 59 1HG PRO 59 -2.099 -10.906 4.351 415 HD2 PRO 59 2HD PRO 59 -3.569 -9.408 6.466 416 HD3 PRO 59 1HD PRO 59 -2.074 -8.979 5.611 417 H GLY 60 H GLY 60 -5.186 -9.137 1.035 418 HA2 GLY 60 2HA GLY 60 -7.545 -9.009 0.370 419 HA3 GLY 60 1HA GLY 60 -7.874 -8.257 1.932 420 H TYR 61 H TYR 61 -5.412 -6.677 1.836 421 HA TYR 61 HA TYR 61 -5.759 -4.958 -0.529 422 HB2 TYR 61 2HB TYR 61 -5.429 -4.062 2.342 423 HB3 TYR 61 1HB TYR 61 -5.095 -3.001 0.976 424 HD1 TYR 61 HD2 TYR 61 -7.768 -4.873 2.737 425 HD2 TYR 61 HD1 TYR 61 -6.864 -1.972 -0.247 426 HE1 TYR 61 HE2 TYR 61 -10.145 -4.250 2.625 427 HE2 TYR 61 HE1 TYR 61 -9.234 -1.347 -0.364 428 HH TYR 61 HH TYR 61 -11.516 -2.319 1.951 429 H GLU 62 H GLU 62 -3.852 -4.111 -1.399 430 HA GLU 62 HA GLU 62 -1.353 -5.224 -0.295 431 HB2 GLU 62 2HB GLU 62 -0.643 -5.696 -2.633 432 HB3 GLU 62 1HB GLU 62 -2.049 -6.625 -2.134 433 HG2 GLU 62 2HG GLU 62 -3.458 -4.869 -3.297 434 HG3 GLU 62 1HG GLU 62 -1.957 -4.250 -3.977 435 HA PRO 63 HA PRO 63 0.381 -1.192 -0.627 436 HB2 PRO 63 2HB PRO 63 2.997 -1.695 -1.162 437 HB3 PRO 63 1HB PRO 63 2.259 -2.041 0.407 438 HG2 PRO 63 2HG PRO 63 2.805 -3.905 -1.880 439 HG3 PRO 63 1HG PRO 63 3.097 -4.149 -0.147 440 HD2 PRO 63 2HD PRO 63 0.937 -5.188 -1.403 441 HD3 PRO 63 1HD PRO 63 0.880 -4.652 0.289 442 H ASP 64 H ASP 64 0.340 0.365 -2.134 443 HA ASP 64 HA ASP 64 0.717 -0.402 -4.962 444 HB2 ASP 64 2HB ASP 64 -1.485 0.511 -4.428 445 HB3 ASP 64 1HB ASP 64 -0.751 1.957 -3.749 446 H ASP 65 H ASP 65 2.217 0.566 -6.242 447 HA ASP 65 HA ASP 65 3.955 2.610 -5.009 448 HB2 ASP 65 2HB ASP 65 4.554 0.891 -7.429 449 HB3 ASP 65 1HB ASP 65 5.690 1.874 -6.511 450 H GLN 66 H GLN 66 3.108 4.563 -5.592 451 HA GLN 66 HA GLN 66 2.966 5.121 -8.480 452 HB2 GLN 66 2HB GLN 66 1.467 7.018 -7.959 453 HB3 GLN 66 1HB GLN 66 0.779 5.454 -7.561 454 HG2 GLN 66 2HG GLN 66 1.270 5.825 -5.199 455 HG3 GLN 66 1HG GLN 66 1.992 7.388 -5.593 456 HE21 GLN 66 1HE2 GLN 66 -0.839 6.157 -7.221 457 HE22 GLN 66 2HE2 GLN 66 -1.940 7.315 -6.580 458 H ASP 67 H ASP 67 3.763 7.192 -9.192 459 HA ASP 67 HA ASP 67 5.365 8.799 -9.347 460 HB2 ASP 67 2HB ASP 67 4.962 8.826 -6.353 461 HB3 ASP 67 1HB ASP 67 6.053 9.937 -7.170 462 H SER 68 H SER 68 6.240 6.107 -9.384 463 HA SER 68 HA SER 68 8.564 5.762 -7.759 464 HB2 SER 68 2HB SER 68 7.361 3.826 -8.704 465 HB3 SER 68 1HB SER 68 7.817 4.334 -10.329 466 HG SER 68 HG SER 68 9.204 2.703 -9.419 467 H CYS 69 H CYS 69 9.341 8.019 -8.303 468 HA CYS 69 HA CYS 69 11.091 8.022 -10.676 469 HB2 CYS 69 2HB CYS 69 10.114 10.227 -8.857 470 HB3 CYS 69 1HB CYS 69 11.487 10.470 -9.929 471 H VAL 70 H VAL 70 11.527 6.432 -8.225 472 HA VAL 70 HA VAL 70 13.557 7.639 -6.647 473 HB VAL 70 HB VAL 70 14.010 5.285 -5.848 474 HG11 VAL 70 1HG1 VAL 70 11.140 6.237 -5.789 475 HG12 VAL 70 2HG1 VAL 70 12.431 6.757 -4.706 476 HG13 VAL 70 3HG1 VAL 70 11.865 5.087 -4.665 477 HG21 VAL 70 3HG2 VAL 70 13.375 4.078 -7.891 478 HG22 VAL 70 1HG2 VAL 70 11.703 4.602 -7.685 479 HG23 VAL 70 2HG2 VAL 70 12.439 3.521 -6.503 480 H ASP 71 H ASP 71 15.186 8.453 -7.916 481 HA ASP 71 HA ASP 71 17.263 6.618 -8.630 482 HB2 ASP 71 2HB ASP 71 15.771 6.545 -10.653 483 HB3 ASP 71 1HB ASP 71 16.080 8.263 -10.889 Start of MODEL 14 1 H1 SER 1 1H SER 1 2.294 1.462 -13.518 2 H2 SER 1 2H SER 1 1.175 2.409 -12.673 3 H3 SER 1 3H SER 1 2.827 2.551 -12.340 4 HA SER 1 HA SER 1 1.532 3.245 -14.913 5 HB2 SER 1 2HB SER 1 0.891 4.883 -13.258 6 HB3 SER 1 1HB SER 1 2.549 5.010 -12.670 7 HG SER 1 HG SER 1 3.063 6.258 -14.310 8 H ASP 2 H ASP 2 2.894 4.054 -16.520 9 HA ASP 2 HA ASP 2 5.647 3.159 -16.376 10 HB2 ASP 2 2HB ASP 2 3.936 3.080 -18.394 11 HB3 ASP 2 1HB ASP 2 4.535 4.708 -18.702 12 H VAL 3 H VAL 3 7.019 5.048 -17.922 13 HA VAL 3 HA VAL 3 7.733 6.936 -15.938 14 HB VAL 3 HB VAL 3 9.397 6.140 -17.497 15 HG11 VAL 3 1HG1 VAL 3 8.015 5.818 -19.476 16 HG12 VAL 3 2HG1 VAL 3 9.427 6.803 -19.857 17 HG13 VAL 3 3HG1 VAL 3 7.846 7.564 -19.665 18 HG21 VAL 3 3HG2 VAL 3 8.902 9.101 -17.849 19 HG22 VAL 3 1HG2 VAL 3 10.435 8.272 -18.124 20 HG23 VAL 3 2HG2 VAL 3 9.748 8.339 -16.501 21 H ASN 4 H ASN 4 6.722 8.732 -15.393 22 HA ASN 4 HA ASN 4 5.552 10.491 -17.421 23 HB2 ASN 4 2HB ASN 4 3.759 8.893 -16.691 24 HB3 ASN 4 1HB ASN 4 3.949 9.488 -15.046 25 HD21 ASN 4 1HD2 ASN 4 1.813 10.179 -14.987 26 HD22 ASN 4 2HD2 ASN 4 1.269 11.574 -15.848 27 H GLU 5 H GLU 5 4.669 12.572 -16.217 28 HA GLU 5 HA GLU 5 6.691 13.424 -14.291 29 HB2 GLU 5 2HB GLU 5 4.480 14.982 -15.644 30 HB3 GLU 5 1HB GLU 5 5.701 15.674 -14.582 31 HG2 GLU 5 2HG GLU 5 7.446 14.885 -16.181 32 HG3 GLU 5 1HG GLU 5 6.150 14.384 -17.269 33 H CYS 6 H CYS 6 6.076 14.583 -12.308 34 HA CYS 6 HA CYS 6 3.956 13.151 -10.936 35 HB2 CYS 6 2HB CYS 6 6.236 13.689 -9.923 36 HB3 CYS 6 1HB CYS 6 5.654 15.340 -9.734 37 H LEU 7 H LEU 7 2.494 14.305 -12.597 38 HA LEU 7 HA LEU 7 1.247 16.586 -11.204 39 HB2 LEU 7 2HB LEU 7 0.444 17.264 -13.572 40 HB3 LEU 7 1HB LEU 7 2.080 17.661 -13.086 41 HG LEU 7 HG LEU 7 2.888 15.654 -14.358 42 HD11 LEU 7 1HD1 LEU 7 1.405 14.647 -16.032 43 HD12 LEU 7 2HD1 LEU 7 0.043 15.543 -15.358 44 HD13 LEU 7 3HD1 LEU 7 0.863 14.321 -14.388 45 HD21 LEU 7 3HD2 LEU 7 2.982 17.904 -15.305 46 HD22 LEU 7 1HD2 LEU 7 1.358 17.703 -15.963 47 HD23 LEU 7 2HD2 LEU 7 2.682 16.696 -16.554 48 H THR 8 H THR 8 0.823 13.666 -11.126 49 HA THR 8 HA THR 8 -1.617 13.099 -12.564 50 HB THR 8 HB THR 8 0.008 11.309 -12.188 51 HG1 THR 8 HG1 THR 8 -1.648 9.897 -10.911 52 HG21 THR 8 3HG2 THR 8 0.358 10.351 -9.955 53 HG22 THR 8 1HG2 THR 8 -0.653 11.615 -9.249 54 HG23 THR 8 2HG2 THR 8 0.883 12.033 -10.007 55 H ILE 9 H ILE 9 -3.330 11.842 -11.111 56 HA ILE 9 HA ILE 9 -4.559 13.809 -9.424 57 HB ILE 9 HB ILE 9 -5.345 10.944 -10.014 58 HG12 ILE 9 2HG1 ILE 9 -5.328 12.360 -12.018 59 HG13 ILE 9 1HG1 ILE 9 -6.978 11.945 -11.570 60 HG21 ILE 9 1HG2 ILE 9 -6.946 13.142 -8.707 61 HG22 ILE 9 2HG2 ILE 9 -6.357 11.669 -7.934 62 HG23 ILE 9 3HG2 ILE 9 -7.579 11.571 -9.202 63 HD11 ILE 9 3HD1 ILE 9 -5.605 14.573 -11.043 64 HD12 ILE 9 1HD1 ILE 9 -7.251 14.162 -10.562 65 HD13 ILE 9 2HD1 ILE 9 -6.828 14.253 -12.272 66 HA PRO 10 HA PRO 10 -2.617 12.523 -5.592 67 HB2 PRO 10 2HB PRO 10 -4.979 13.789 -4.308 68 HB3 PRO 10 1HB PRO 10 -3.260 14.139 -4.100 69 HG2 PRO 10 2HG PRO 10 -4.852 15.809 -5.458 70 HG3 PRO 10 1HG PRO 10 -3.176 15.521 -5.966 71 HD2 PRO 10 2HD PRO 10 -5.722 14.404 -7.095 72 HD3 PRO 10 1HD PRO 10 -4.272 14.987 -7.944 73 H GLU 11 H GLU 11 -3.123 10.258 -6.061 74 HA GLU 11 HA GLU 11 -5.574 9.161 -4.955 75 HB2 GLU 11 2HB GLU 11 -3.135 7.763 -6.083 76 HB3 GLU 11 1HB GLU 11 -4.637 6.973 -5.629 77 HG2 GLU 11 2HG GLU 11 -5.814 8.301 -7.350 78 HG3 GLU 11 1HG GLU 11 -4.261 8.984 -7.838 79 H ALA 12 H ALA 12 -2.195 9.430 -3.999 80 HA ALA 12 HA ALA 12 -2.580 7.487 -1.831 81 HB1 ALA 12 3HB ALA 12 -0.025 8.712 -2.868 82 HB2 ALA 12 1HB ALA 12 -0.683 7.148 -3.347 83 HB3 ALA 12 2HB ALA 12 -0.158 7.411 -1.684 84 H CYS 13 H CYS 13 -1.348 7.945 0.222 85 HA CYS 13 HA CYS 13 -1.962 10.659 1.176 86 HB2 CYS 13 2HB CYS 13 -1.449 8.065 2.655 87 HB3 CYS 13 1HB CYS 13 -1.661 9.615 3.458 88 H LYS 14 H LYS 14 -0.413 12.016 2.009 89 HA LYS 14 HA LYS 14 2.301 11.497 1.195 90 HB2 LYS 14 2HB LYS 14 1.235 13.719 0.957 91 HB3 LYS 14 1HB LYS 14 1.166 13.862 2.707 92 HG2 LYS 14 2HG LYS 14 3.591 13.866 2.834 93 HG3 LYS 14 1HG LYS 14 3.702 13.616 1.090 94 HD2 LYS 14 2HD LYS 14 2.516 15.772 0.748 95 HD3 LYS 14 1HD LYS 14 2.534 16.027 2.494 96 HE2 LYS 14 2HE LYS 14 4.953 16.089 2.498 97 HE3 LYS 14 1HE LYS 14 4.999 15.680 0.783 98 HZ1 LYS 14 3HZ LYS 14 3.870 17.767 0.299 99 HZ2 LYS 14 1HZ LYS 14 5.325 18.040 1.120 100 HZ3 LYS 14 2HZ LYS 14 3.855 18.163 1.942 101 H GLY 15 H GLY 15 3.833 10.540 2.373 102 HA2 GLY 15 2HA GLY 15 5.192 10.110 4.220 103 HA3 GLY 15 1HA GLY 15 4.094 11.045 5.222 104 H GLU 16 H GLU 16 2.196 8.966 3.561 105 HA GLU 16 HA GLU 16 2.350 6.845 5.612 106 HB2 GLU 16 2HB GLU 16 -0.160 7.997 4.350 107 HB3 GLU 16 1HB GLU 16 -0.106 6.701 5.540 108 HG2 GLU 16 2HG GLU 16 0.744 8.205 7.220 109 HG3 GLU 16 1HG GLU 16 0.879 9.508 6.042 110 H MET 17 H MET 17 1.328 4.745 4.866 111 HA MET 17 HA MET 17 2.321 4.224 2.165 112 HB2 MET 17 2HB MET 17 1.328 2.249 4.224 113 HB3 MET 17 1HB MET 17 2.180 1.867 2.736 114 HG2 MET 17 2HG MET 17 4.132 3.166 3.632 115 HG3 MET 17 1HG MET 17 3.273 3.252 5.170 116 HE1 MET 17 3HE MET 17 2.157 0.880 6.162 117 HE2 MET 17 1HE MET 17 2.786 -0.709 5.724 118 HE3 MET 17 2HE MET 17 1.816 0.203 4.566 119 H LYS 18 H LYS 18 1.112 3.731 0.457 120 HA LYS 18 HA LYS 18 -1.795 3.738 0.705 121 HB2 LYS 18 2HB LYS 18 -0.879 5.154 -1.020 122 HB3 LYS 18 1HB LYS 18 0.065 3.825 -1.683 123 HG2 LYS 18 2HG LYS 18 -2.013 2.690 -2.350 124 HG3 LYS 18 1HG LYS 18 -2.946 4.043 -1.711 125 HD2 LYS 18 2HD LYS 18 -1.919 5.553 -3.328 126 HD3 LYS 18 1HD LYS 18 -0.890 4.248 -3.921 127 HE2 LYS 18 2HE LYS 18 -2.994 3.007 -4.542 128 HE3 LYS 18 1HE LYS 18 -3.888 4.481 -4.162 129 HZ1 LYS 18 3HZ LYS 18 -2.639 5.643 -5.868 130 HZ2 LYS 18 1HZ LYS 18 -3.394 4.282 -6.531 131 HZ3 LYS 18 2HZ LYS 18 -1.735 4.254 -6.202 132 H CYS 19 H CYS 19 -2.623 1.806 1.273 133 HA CYS 19 HA CYS 19 -1.619 -0.649 -0.032 134 HB2 CYS 19 2HB CYS 19 -3.364 -0.349 2.430 135 HB3 CYS 19 1HB CYS 19 -2.796 -1.875 1.762 136 H ILE 20 H ILE 20 -2.785 -1.407 -1.688 137 HA ILE 20 HA ILE 20 -5.711 -0.973 -1.704 138 HB ILE 20 HB ILE 20 -5.620 -0.729 -4.171 139 HG12 ILE 20 2HG1 ILE 20 -2.616 -0.551 -3.765 140 HG13 ILE 20 1HG1 ILE 20 -3.459 -1.886 -4.542 141 HG21 ILE 20 1HG2 ILE 20 -5.759 1.261 -2.788 142 HG22 ILE 20 2HG2 ILE 20 -4.758 1.579 -4.204 143 HG23 ILE 20 3HG2 ILE 20 -4.001 1.308 -2.634 144 HD11 ILE 20 3HD1 ILE 20 -4.210 -0.375 -6.311 145 HD12 ILE 20 1HD1 ILE 20 -2.451 -0.419 -6.183 146 HD13 ILE 20 2HD1 ILE 20 -3.348 0.954 -5.535 147 H ASN 21 H ASN 21 -6.941 -2.548 -2.940 148 HA ASN 21 HA ASN 21 -5.553 -5.142 -3.212 149 HB2 ASN 21 2HB ASN 21 -7.772 -6.201 -2.954 150 HB3 ASN 21 1HB ASN 21 -7.346 -5.208 -1.566 151 HD21 ASN 21 1HD2 ASN 21 -9.464 -4.961 -0.939 152 HD22 ASN 21 2HD2 ASN 21 -10.586 -3.974 -1.801 153 H HIS 22 H HIS 22 -7.139 -6.575 -4.838 154 HA HIS 22 HA HIS 22 -6.618 -5.315 -7.389 155 HB2 HIS 22 2HB HIS 22 -7.690 -8.076 -6.774 156 HB3 HIS 22 1HB HIS 22 -7.191 -7.504 -8.365 157 HD1 HIS 22 HD1 HIS 22 -5.849 -8.740 -5.124 158 HD2 HIS 22 HD2 HIS 22 -4.370 -7.197 -8.685 159 HE1 HIS 22 HE1 HIS 22 -3.373 -9.118 -5.041 160 HE2 HIS 22 HE2 HIS 22 -2.488 -7.946 -7.077 161 H TYR 23 H TYR 23 -9.293 -5.413 -5.344 162 HA TYR 23 HA TYR 23 -11.292 -5.118 -7.428 163 HB2 TYR 23 2HB TYR 23 -11.331 -5.068 -4.431 164 HB3 TYR 23 1HB TYR 23 -12.679 -4.354 -5.311 165 HD1 TYR 23 HD1 TYR 23 -10.695 -7.517 -5.082 166 HD2 TYR 23 HD2 TYR 23 -14.437 -5.706 -6.011 167 HE1 TYR 23 HE1 TYR 23 -11.702 -9.736 -5.362 168 HE2 TYR 23 HE2 TYR 23 -15.451 -7.923 -6.286 169 HH TYR 23 HH TYR 23 -14.811 -10.197 -6.753 170 H GLY 24 H GLY 24 -9.179 -3.061 -5.600 171 HA2 GLY 24 2HA GLY 24 -8.768 -0.826 -6.535 172 HA3 GLY 24 1HA GLY 24 -10.501 -0.673 -6.758 173 H GLY 25 H GLY 25 -10.116 -2.189 -3.861 174 HA2 GLY 25 2HA GLY 25 -11.001 -0.041 -2.282 175 HA3 GLY 25 1HA GLY 25 -10.340 -1.547 -1.667 176 H TYR 26 H TYR 26 -10.009 1.551 -1.208 177 HA TYR 26 HA TYR 26 -7.062 1.671 -1.344 178 HB2 TYR 26 2HB TYR 26 -8.159 3.358 -2.690 179 HB3 TYR 26 1HB TYR 26 -9.149 3.863 -1.327 180 HD1 TYR 26 HD2 TYR 26 -5.664 3.771 -2.605 181 HD2 TYR 26 HD1 TYR 26 -8.367 5.495 0.201 182 HE1 TYR 26 HE2 TYR 26 -3.977 5.455 -2.013 183 HE2 TYR 26 HE1 TYR 26 -6.679 7.176 0.796 184 HH TYR 26 HH TYR 26 -4.359 7.588 0.679 185 H LEU 27 H LEU 27 -5.902 1.799 0.489 186 HA LEU 27 HA LEU 27 -7.136 2.864 2.950 187 HB2 LEU 27 2HB LEU 27 -5.474 0.340 2.769 188 HB3 LEU 27 1HB LEU 27 -5.959 1.112 4.266 189 HG LEU 27 HG LEU 27 -7.869 -0.075 2.240 190 HD11 LEU 27 1HD1 LEU 27 -6.962 -1.154 4.910 191 HD12 LEU 27 2HD1 LEU 27 -6.524 -1.801 3.329 192 HD13 LEU 27 3HD1 LEU 27 -8.201 -1.862 3.872 193 HD21 LEU 27 3HD2 LEU 27 -9.547 0.210 4.007 194 HD22 LEU 27 1HD2 LEU 27 -8.865 1.756 3.502 195 HD23 LEU 27 2HD2 LEU 27 -8.346 1.016 5.016 196 H CYS 28 H CYS 28 -5.742 4.037 4.292 197 HA CYS 28 HA CYS 28 -2.932 4.296 3.393 198 HB2 CYS 28 2HB CYS 28 -4.790 6.371 4.552 199 HB3 CYS 28 1HB CYS 28 -3.040 6.582 4.558 200 H LEU 29 H LEU 29 -1.768 3.043 4.715 201 HA LEU 29 HA LEU 29 -2.398 2.968 7.585 202 HB2 LEU 29 2HB LEU 29 -0.493 1.271 5.958 203 HB3 LEU 29 1HB LEU 29 -0.852 1.047 7.660 204 HG LEU 29 HG LEU 29 -2.790 0.696 5.362 205 HD11 LEU 29 1HD1 LEU 29 -2.765 -1.654 5.988 206 HD12 LEU 29 2HD1 LEU 29 -1.591 -1.322 7.261 207 HD13 LEU 29 3HD1 LEU 29 -1.143 -1.105 5.569 208 HD21 LEU 29 3HD2 LEU 29 -4.389 -0.072 7.048 209 HD22 LEU 29 1HD2 LEU 29 -3.928 1.606 7.328 210 HD23 LEU 29 2HD2 LEU 29 -3.243 0.326 8.329 211 HA PRO 30 HA PRO 30 0.971 5.599 8.809 212 HB2 PRO 30 2HB PRO 30 1.831 4.228 11.063 213 HB3 PRO 30 1HB PRO 30 0.471 5.354 11.023 214 HG2 PRO 30 2HG PRO 30 0.456 2.363 10.871 215 HG3 PRO 30 1HG PRO 30 -0.636 3.447 11.756 216 HD2 PRO 30 2HD PRO 30 -1.379 2.325 9.438 217 HD3 PRO 30 1HD PRO 30 -1.852 3.989 9.842 218 H ARG 31 H ARG 31 3.268 5.691 8.897 219 HA ARG 31 HA ARG 31 4.515 3.737 7.179 220 HB2 ARG 31 2HB ARG 31 4.850 6.228 7.012 221 HB3 ARG 31 1HB ARG 31 5.784 6.143 8.500 222 HG2 ARG 31 2HG ARG 31 7.375 4.621 7.388 223 HG3 ARG 31 1HG ARG 31 6.453 4.781 5.891 224 HD2 ARG 31 2HD ARG 31 8.347 6.262 5.810 225 HD3 ARG 31 1HD ARG 31 6.874 7.223 5.947 226 HE ARG 31 HE ARG 31 7.706 6.930 8.520 227 HH11 ARG 31 1HH1 ARG 31 9.161 8.114 5.639 228 HH12 ARG 31 2HH1 ARG 31 10.236 9.172 6.482 229 HH21 ARG 31 1HH2 ARG 31 9.105 8.268 9.600 230 HH22 ARG 31 2HH2 ARG 31 10.202 9.261 8.708 231 H SER 32 H SER 32 3.853 3.313 10.221 232 HA SER 32 HA SER 32 6.123 2.912 11.736 233 HB2 SER 32 2HB SER 32 3.719 1.065 11.719 234 HB3 SER 32 1HB SER 32 4.832 1.349 13.057 235 HG SER 32 HG SER 32 4.103 3.605 12.928 236 H ALA 33 H ALA 33 4.958 0.982 9.065 237 HA ALA 33 HA ALA 33 6.797 -1.211 9.594 238 HB1 ALA 33 3HB ALA 33 4.592 -1.699 8.668 239 HB2 ALA 33 1HB ALA 33 5.867 -2.207 7.561 240 HB3 ALA 33 2HB ALA 33 4.963 -0.726 7.245 241 H ALA 34 H ALA 34 8.636 -1.702 8.395 242 HA ALA 34 HA ALA 34 9.764 0.563 6.894 243 HB1 ALA 34 3HB ALA 34 11.152 -1.818 8.132 244 HB2 ALA 34 1HB ALA 34 11.043 -0.202 8.830 245 HB3 ALA 34 2HB ALA 34 11.942 -0.458 7.334 246 H VAL 35 H VAL 35 9.740 0.444 4.741 247 HA VAL 35 HA VAL 35 9.084 -2.008 3.382 248 HB VAL 35 HB VAL 35 9.186 -0.607 1.304 249 HG11 VAL 35 1HG1 VAL 35 7.506 0.447 3.588 250 HG12 VAL 35 2HG1 VAL 35 7.089 -0.874 2.497 251 HG13 VAL 35 3HG1 VAL 35 7.211 0.774 1.880 252 HG21 VAL 35 3HG2 VAL 35 10.889 1.003 1.989 253 HG22 VAL 35 1HG2 VAL 35 9.828 1.618 3.257 254 HG23 VAL 35 2HG2 VAL 35 9.399 1.844 1.561 255 H ILE 36 H ILE 36 11.239 -2.946 4.327 256 HA ILE 36 HA ILE 36 13.248 -2.919 2.205 257 HB ILE 36 HB ILE 36 15.067 -2.663 4.064 258 HG12 ILE 36 2HG1 ILE 36 14.423 -1.097 5.873 259 HG13 ILE 36 1HG1 ILE 36 12.747 -1.179 5.349 260 HG21 ILE 36 1HG2 ILE 36 15.160 -0.240 3.690 261 HG22 ILE 36 2HG2 ILE 36 13.522 -0.281 3.036 262 HG23 ILE 36 3HG2 ILE 36 14.828 -1.130 2.205 263 HD11 ILE 36 3HD1 ILE 36 12.678 -3.548 5.928 264 HD12 ILE 36 1HD1 ILE 36 13.139 -2.551 7.311 265 HD13 ILE 36 2HD1 ILE 36 14.366 -3.470 6.441 266 H ASN 37 H ASN 37 11.411 -4.865 3.948 267 HA ASN 37 HA ASN 37 13.556 -6.790 4.602 268 HB2 ASN 37 2HB ASN 37 12.093 -7.569 6.486 269 HB3 ASN 37 1HB ASN 37 12.716 -5.933 6.670 270 HD21 ASN 37 1HD2 ASN 37 10.363 -7.229 7.833 271 HD22 ASN 37 2HD2 ASN 37 9.028 -6.218 7.413 272 H ASP 38 H ASP 38 13.151 -8.993 4.381 273 HA ASP 38 HA ASP 38 10.981 -9.714 2.538 274 HB2 ASP 38 2HB ASP 38 13.338 -11.394 3.434 275 HB3 ASP 38 1HB ASP 38 12.243 -11.735 2.098 276 H LEU 39 H LEU 39 9.161 -10.594 3.410 277 HA LEU 39 HA LEU 39 9.506 -12.509 5.594 278 HB2 LEU 39 2HB LEU 39 7.404 -11.656 6.697 279 HB3 LEU 39 1HB LEU 39 8.833 -10.674 6.872 280 HG LEU 39 HG LEU 39 6.837 -9.308 6.614 281 HD11 LEU 39 1HD1 LEU 39 8.597 -9.065 4.185 282 HD12 LEU 39 2HD1 LEU 39 8.940 -8.407 5.784 283 HD13 LEU 39 3HD1 LEU 39 7.560 -7.812 4.861 284 HD21 LEU 39 3HD2 LEU 39 5.497 -10.867 5.270 285 HD22 LEU 39 1HD2 LEU 39 6.501 -10.501 3.868 286 HD23 LEU 39 2HD2 LEU 39 5.517 -9.236 4.604 287 H HIS 40 H HIS 40 8.250 -14.284 5.562 288 HA HIS 40 HA HIS 40 5.912 -14.415 3.817 289 HB2 HIS 40 2HB HIS 40 8.283 -16.288 3.569 290 HB3 HIS 40 1HB HIS 40 6.702 -16.609 2.864 291 HD1 HIS 40 HD1 HIS 40 5.882 -14.771 1.063 292 HD2 HIS 40 HD2 HIS 40 9.937 -14.779 1.983 293 HE1 HIS 40 HE1 HIS 40 6.995 -13.500 -0.792 294 HE2 HIS 40 HE2 HIS 40 9.430 -13.431 -0.171 295 H GLY 41 H GLY 41 5.300 -17.084 4.023 296 HA2 GLY 41 2HA GLY 41 4.303 -17.126 6.729 297 HA3 GLY 41 1HA GLY 41 3.914 -18.259 5.453 298 H GLU 42 H GLU 42 4.488 -20.276 5.900 299 HA GLU 42 HA GLU 42 6.502 -20.744 7.996 300 HB2 GLU 42 2HB GLU 42 4.345 -22.612 6.993 301 HB3 GLU 42 1HB GLU 42 5.351 -22.832 8.418 302 HG2 GLU 42 2HG GLU 42 3.314 -20.641 8.037 303 HG3 GLU 42 1HG GLU 42 3.079 -22.111 8.980 304 H GLY 43 H GLY 43 7.763 -22.782 7.855 305 HA2 GLY 43 2HA GLY 43 9.067 -24.355 6.795 306 HA3 GLY 43 1HA GLY 43 7.988 -24.236 5.417 307 HA PRO 44 HA PRO 44 12.075 -22.601 3.964 308 HB2 PRO 44 2HB PRO 44 11.843 -23.631 1.448 309 HB3 PRO 44 1HB PRO 44 12.483 -24.555 2.811 310 HG2 PRO 44 2HG PRO 44 9.717 -24.575 1.643 311 HG3 PRO 44 1HG PRO 44 10.729 -25.945 2.141 312 HD2 PRO 44 2HD PRO 44 8.743 -24.987 3.703 313 HD3 PRO 44 1HD PRO 44 10.242 -25.648 4.389 314 HA PRO 45 HA PRO 45 10.490 -18.923 2.003 315 HB2 PRO 45 2HB PRO 45 12.523 -18.480 0.157 316 HB3 PRO 45 1HB PRO 45 12.557 -17.974 1.848 317 HG2 PRO 45 2HG PRO 45 13.765 -20.397 0.569 318 HG3 PRO 45 1HG PRO 45 14.443 -19.334 1.818 319 HD2 PRO 45 2HD PRO 45 13.416 -21.720 2.453 320 HD3 PRO 45 1HD PRO 45 13.173 -20.313 3.512 321 HA PRO 46 HA PRO 46 8.303 -20.775 -1.486 322 HB2 PRO 46 2HB PRO 46 6.923 -18.461 -2.145 323 HB3 PRO 46 1HB PRO 46 6.404 -19.630 -0.929 324 HG2 PRO 46 2HG PRO 46 7.871 -17.045 -0.569 325 HG3 PRO 46 1HG PRO 46 6.549 -17.726 0.400 326 HD2 PRO 46 2HD PRO 46 9.092 -17.847 1.241 327 HD3 PRO 46 1HD PRO 46 7.970 -19.195 1.525 328 HA PRO 47 HA PRO 47 10.729 -19.582 -4.983 329 HB2 PRO 47 2HB PRO 47 9.071 -20.203 -7.046 330 HB3 PRO 47 1HB PRO 47 9.867 -21.426 -6.049 331 HG2 PRO 47 2HG PRO 47 7.072 -20.352 -5.849 332 HG3 PRO 47 1HG PRO 47 7.625 -22.037 -5.788 333 HD2 PRO 47 2HD PRO 47 7.028 -20.652 -3.556 334 HD3 PRO 47 1HD PRO 47 8.334 -21.854 -3.589 335 H VAL 48 H VAL 48 10.202 -17.265 -4.067 336 HA VAL 48 HA VAL 48 8.861 -15.676 -6.160 337 HB VAL 48 HB VAL 48 9.500 -14.861 -3.305 338 HG11 VAL 48 1HG1 VAL 48 7.897 -13.441 -5.441 339 HG12 VAL 48 2HG1 VAL 48 9.467 -12.945 -4.808 340 HG13 VAL 48 3HG1 VAL 48 8.047 -12.919 -3.762 341 HG21 VAL 48 3HG2 VAL 48 6.843 -15.633 -4.529 342 HG22 VAL 48 1HG2 VAL 48 7.083 -15.018 -2.893 343 HG23 VAL 48 2HG2 VAL 48 7.761 -16.579 -3.356 344 HA PRO 49 HA PRO 49 12.926 -14.321 -7.439 345 HB2 PRO 49 2HB PRO 49 12.174 -11.890 -8.533 346 HB3 PRO 49 1HB PRO 49 12.055 -13.444 -9.364 347 HG2 PRO 49 2HG PRO 49 9.940 -11.919 -7.882 348 HG3 PRO 49 1HG PRO 49 9.824 -12.774 -9.433 349 HD2 PRO 49 2HD PRO 49 8.876 -13.874 -7.191 350 HD3 PRO 49 1HD PRO 49 9.701 -14.869 -8.411 351 HA PRO 50 HA PRO 50 14.461 -11.866 -4.035 352 HB2 PRO 50 2HB PRO 50 16.656 -10.767 -5.361 353 HB3 PRO 50 1HB PRO 50 16.627 -12.335 -4.550 354 HG2 PRO 50 2HG PRO 50 16.267 -11.696 -7.454 355 HG3 PRO 50 1HG PRO 50 17.156 -13.035 -6.700 356 HD2 PRO 50 2HD PRO 50 14.747 -13.429 -7.777 357 HD3 PRO 50 1HD PRO 50 15.206 -14.245 -6.266 358 H ALA 51 H ALA 51 13.962 -10.364 -7.216 359 HA ALA 51 HA ALA 51 13.900 -7.676 -6.217 360 HB1 ALA 51 3HB ALA 51 12.716 -8.810 -8.760 361 HB2 ALA 51 1HB ALA 51 14.338 -8.140 -8.579 362 HB3 ALA 51 2HB ALA 51 12.928 -7.098 -8.392 363 H GLN 52 H GLN 52 12.564 -8.217 -4.318 364 HA GLN 52 HA GLN 52 9.679 -8.507 -4.905 365 HB2 GLN 52 2HB GLN 52 10.695 -10.508 -3.865 366 HB3 GLN 52 1HB GLN 52 11.252 -9.526 -2.519 367 HG2 GLN 52 2HG GLN 52 8.792 -8.981 -2.107 368 HG3 GLN 52 1HG GLN 52 8.433 -10.296 -3.226 369 HE21 GLN 52 1HE2 GLN 52 9.749 -9.445 -0.133 370 HE22 GLN 52 2HE2 GLN 52 9.763 -11.040 0.526 371 H HIS 53 H HIS 53 8.212 -7.511 -3.364 372 HA HIS 53 HA HIS 53 9.354 -5.240 -1.861 373 HB2 HIS 53 2HB HIS 53 6.534 -5.730 -2.861 374 HB3 HIS 53 1HB HIS 53 6.996 -4.373 -1.843 375 HD1 HIS 53 HD1 HIS 53 7.331 -5.680 -5.347 376 HD2 HIS 53 HD2 HIS 53 8.309 -2.294 -3.147 377 HE1 HIS 53 HE1 HIS 53 7.998 -3.953 -7.035 378 HE2 HIS 53 HE2 HIS 53 8.303 -1.851 -5.694 379 HA PRO 54 HA PRO 54 8.574 -7.261 2.038 380 HB2 PRO 54 2HB PRO 54 7.648 -5.055 3.473 381 HB3 PRO 54 1HB PRO 54 9.344 -5.501 3.252 382 HG2 PRO 54 2HG PRO 54 7.695 -3.507 1.750 383 HG3 PRO 54 1HG PRO 54 9.381 -3.394 2.293 384 HD2 PRO 54 2HD PRO 54 8.804 -3.914 -0.261 385 HD3 PRO 54 1HD PRO 54 10.162 -4.732 0.543 386 H ASN 55 H ASN 55 6.078 -5.312 0.526 387 HA ASN 55 HA ASN 55 3.832 -5.140 0.740 388 HB2 ASN 55 2HB ASN 55 4.263 -8.110 0.999 389 HB3 ASN 55 1HB ASN 55 2.648 -7.407 0.938 390 HD21 ASN 55 1HD2 ASN 55 2.139 -8.347 -1.034 391 HD22 ASN 55 2HD2 ASN 55 2.865 -7.843 -2.518 392 HA PRO 56 HA PRO 56 4.160 -5.062 5.459 393 HB2 PRO 56 2HB PRO 56 3.334 -2.256 4.895 394 HB3 PRO 56 1HB PRO 56 4.566 -2.872 6.002 395 HG2 PRO 56 2HG PRO 56 5.267 -1.697 3.721 396 HG3 PRO 56 1HG PRO 56 6.150 -3.121 4.314 397 HD2 PRO 56 2HD PRO 56 4.059 -2.939 2.164 398 HD3 PRO 56 1HD PRO 56 5.574 -3.868 2.186 399 H CYS 57 H CYS 57 1.713 -4.517 3.098 400 HA CYS 57 HA CYS 57 -0.360 -3.735 4.978 401 HB2 CYS 57 2HB CYS 57 -0.715 -4.476 2.063 402 HB3 CYS 57 1HB CYS 57 -1.779 -3.489 3.059 403 HA PRO 58 HA PRO 58 -2.004 -7.672 6.166 404 HB2 PRO 58 2HB PRO 58 -4.655 -6.554 5.323 405 HB3 PRO 58 1HB PRO 58 -4.197 -7.346 6.837 406 HG2 PRO 58 2HG PRO 58 -4.454 -4.707 6.760 407 HG3 PRO 58 1HG PRO 58 -3.112 -5.448 7.658 408 HD2 PRO 58 2HD PRO 58 -3.089 -4.081 4.993 409 HD3 PRO 58 1HD PRO 58 -1.875 -4.054 6.288 410 HA PRO 59 HA PRO 59 -2.232 -10.345 2.645 411 HB2 PRO 59 2HB PRO 59 -4.197 -12.118 3.627 412 HB3 PRO 59 1HB PRO 59 -2.448 -12.267 3.826 413 HG2 PRO 59 2HG PRO 59 -4.485 -11.160 5.707 414 HG3 PRO 59 1HG PRO 59 -3.018 -12.094 6.059 415 HD2 PRO 59 2HD PRO 59 -3.099 -9.460 6.487 416 HD3 PRO 59 1HD PRO 59 -1.632 -10.229 5.840 417 H GLY 60 H GLY 60 -3.258 -10.162 0.751 418 HA2 GLY 60 2HA GLY 60 -5.214 -10.154 -0.643 419 HA3 GLY 60 1HA GLY 60 -6.141 -9.515 0.706 420 H TYR 61 H TYR 61 -3.891 -7.598 1.288 421 HA TYR 61 HA TYR 61 -4.423 -5.653 -0.871 422 HB2 TYR 61 2HB TYR 61 -3.991 -5.229 2.095 423 HB3 TYR 61 1HB TYR 61 -3.931 -3.914 0.926 424 HD1 TYR 61 HD2 TYR 61 -6.169 -6.602 2.231 425 HD2 TYR 61 HD1 TYR 61 -5.905 -2.846 0.242 426 HE1 TYR 61 HE2 TYR 61 -8.612 -6.366 2.360 427 HE2 TYR 61 HE1 TYR 61 -8.346 -2.603 0.369 428 HH TYR 61 HH TYR 61 -10.307 -4.602 2.306 429 H GLU 62 H GLU 62 -2.753 -4.696 -1.881 430 HA GLU 62 HA GLU 62 -0.023 -5.316 -0.950 431 HB2 GLU 62 2HB GLU 62 0.641 -5.162 -3.356 432 HB3 GLU 62 1HB GLU 62 -0.463 -6.483 -3.007 433 HG2 GLU 62 2HG GLU 62 -2.328 -5.192 -3.900 434 HG3 GLU 62 1HG GLU 62 -1.253 -3.831 -4.210 435 HA PRO 63 HA PRO 63 0.712 -0.906 -0.786 436 HB2 PRO 63 2HB PRO 63 3.427 -0.891 -0.972 437 HB3 PRO 63 1HB PRO 63 2.571 -1.377 0.497 438 HG2 PRO 63 2HG PRO 63 3.782 -3.091 -1.643 439 HG3 PRO 63 1HG PRO 63 3.839 -3.292 0.119 440 HD2 PRO 63 2HD PRO 63 2.133 -4.697 -1.467 441 HD3 PRO 63 1HD PRO 63 1.738 -4.247 0.204 442 H ASP 64 H ASP 64 0.673 0.660 -2.312 443 HA ASP 64 HA ASP 64 0.993 -0.167 -5.082 444 HB2 ASP 64 2HB ASP 64 -1.017 1.057 -4.409 445 HB3 ASP 64 1HB ASP 64 -0.034 2.422 -3.895 446 H ASP 65 H ASP 65 2.750 0.199 -6.278 447 HA ASP 65 HA ASP 65 4.890 1.878 -5.264 448 HB2 ASP 65 2HB ASP 65 4.749 0.242 -7.811 449 HB3 ASP 65 1HB ASP 65 6.197 0.989 -7.146 450 H GLN 66 H GLN 66 4.714 4.032 -5.611 451 HA GLN 66 HA GLN 66 3.963 4.950 -8.314 452 HB2 GLN 66 2HB GLN 66 3.576 7.187 -7.223 453 HB3 GLN 66 1HB GLN 66 2.472 5.914 -6.725 454 HG2 GLN 66 2HG GLN 66 3.780 5.615 -4.661 455 HG3 GLN 66 1HG GLN 66 4.846 6.926 -5.163 456 HE21 GLN 66 1HE2 GLN 66 2.639 8.493 -6.293 457 HE22 GLN 66 2HE2 GLN 66 1.795 9.148 -4.942 458 H ASP 67 H ASP 67 5.785 5.013 -9.459 459 HA ASP 67 HA ASP 67 8.334 5.691 -8.257 460 HB2 ASP 67 2HB ASP 67 9.238 5.062 -10.494 461 HB3 ASP 67 1HB ASP 67 8.239 3.805 -9.769 462 H SER 68 H SER 68 6.345 6.993 -10.928 463 HA SER 68 HA SER 68 8.195 9.093 -11.519 464 HB2 SER 68 2HB SER 68 5.333 8.675 -12.406 465 HB3 SER 68 1HB SER 68 6.410 9.916 -13.047 466 HG SER 68 HG SER 68 7.226 7.216 -13.050 467 H CYS 69 H CYS 69 8.344 9.926 -9.301 468 HA CYS 69 HA CYS 69 7.023 12.382 -8.989 469 HB2 CYS 69 2HB CYS 69 5.774 10.104 -7.532 470 HB3 CYS 69 1HB CYS 69 5.982 11.599 -6.632 471 H VAL 70 H VAL 70 8.364 9.761 -6.969 472 HA VAL 70 HA VAL 70 10.393 11.591 -5.940 473 HB VAL 70 HB VAL 70 8.504 11.902 -4.402 474 HG11 VAL 70 1HG1 VAL 70 7.736 10.048 -2.968 475 HG12 VAL 70 2HG1 VAL 70 8.724 8.929 -3.909 476 HG13 VAL 70 3HG1 VAL 70 7.377 9.775 -4.672 477 HG21 VAL 70 3HG2 VAL 70 9.672 11.430 -2.296 478 HG22 VAL 70 1HG2 VAL 70 10.772 12.075 -3.514 479 HG23 VAL 70 2HG2 VAL 70 10.778 10.351 -3.148 480 H ASP 71 H ASP 71 12.194 10.555 -5.013 481 HA ASP 71 HA ASP 71 12.245 7.664 -4.753 482 HB2 ASP 71 2HB ASP 71 12.718 8.131 -7.177 483 HB3 ASP 71 1HB ASP 71 14.144 9.034 -6.679 Start of MODEL 15 1 H1 SER 1 1H SER 1 -3.652 3.592 -19.227 2 H2 SER 1 2H SER 1 -3.974 4.903 -20.244 3 H3 SER 1 3H SER 1 -3.912 5.130 -18.571 4 HA SER 1 HA SER 1 -1.624 4.327 -20.279 5 HB2 SER 1 2HB SER 1 -0.731 6.591 -19.752 6 HB3 SER 1 1HB SER 1 -2.230 6.662 -20.678 7 HG SER 1 HG SER 1 -1.716 7.801 -18.349 8 H ASP 2 H ASP 2 -0.369 2.967 -19.076 9 HA ASP 2 HA ASP 2 -0.206 3.053 -16.228 10 HB2 ASP 2 2HB ASP 2 1.806 1.585 -16.533 11 HB3 ASP 2 1HB ASP 2 0.358 0.998 -17.342 12 H VAL 3 H VAL 3 1.640 4.581 -18.798 13 HA VAL 3 HA VAL 3 3.705 5.657 -17.196 14 HB VAL 3 HB VAL 3 4.003 5.573 -19.582 15 HG11 VAL 3 1HG1 VAL 3 1.698 5.799 -20.314 16 HG12 VAL 3 2HG1 VAL 3 2.709 6.991 -21.134 17 HG13 VAL 3 3HG1 VAL 3 1.673 7.486 -19.796 18 HG21 VAL 3 3HG2 VAL 3 3.820 8.450 -18.664 19 HG22 VAL 3 1HG2 VAL 3 4.749 7.866 -20.045 20 HG23 VAL 3 2HG2 VAL 3 5.187 7.361 -18.414 21 H ASN 4 H ASN 4 3.489 7.049 -15.576 22 HA ASN 4 HA ASN 4 1.806 9.417 -15.903 23 HB2 ASN 4 2HB ASN 4 0.322 7.832 -14.788 24 HB3 ASN 4 1HB ASN 4 1.537 7.528 -13.552 25 HD21 ASN 4 1HD2 ASN 4 -0.734 9.853 -14.815 26 HD22 ASN 4 2HD2 ASN 4 -0.776 10.861 -13.417 27 H GLU 5 H GLU 5 2.876 11.174 -15.266 28 HA GLU 5 HA GLU 5 5.336 10.820 -13.689 29 HB2 GLU 5 2HB GLU 5 4.542 13.151 -15.449 30 HB3 GLU 5 1HB GLU 5 6.115 12.883 -14.710 31 HG2 GLU 5 2HG GLU 5 6.435 10.892 -16.075 32 HG3 GLU 5 1HG GLU 5 4.837 11.114 -16.788 33 H CYS 6 H CYS 6 5.875 13.245 -12.707 34 HA CYS 6 HA CYS 6 4.387 13.246 -10.332 35 HB2 CYS 6 2HB CYS 6 6.721 14.026 -10.481 36 HB3 CYS 6 1HB CYS 6 6.184 15.449 -11.364 37 H LEU 7 H LEU 7 3.525 14.732 -13.277 38 HA LEU 7 HA LEU 7 2.024 16.933 -12.192 39 HB2 LEU 7 2HB LEU 7 1.345 17.402 -14.377 40 HB3 LEU 7 1HB LEU 7 2.952 16.730 -14.564 41 HG LEU 7 HG LEU 7 0.357 15.240 -15.066 42 HD11 LEU 7 1HD1 LEU 7 0.703 16.947 -16.733 43 HD12 LEU 7 2HD1 LEU 7 1.014 15.359 -17.434 44 HD13 LEU 7 3HD1 LEU 7 2.362 16.410 -16.992 45 HD21 LEU 7 3HD2 LEU 7 1.747 13.485 -16.026 46 HD22 LEU 7 1HD2 LEU 7 2.159 13.741 -14.332 47 HD23 LEU 7 2HD2 LEU 7 3.206 14.380 -15.601 48 H THR 8 H THR 8 1.437 14.110 -11.227 49 HA THR 8 HA THR 8 -1.176 13.453 -12.298 50 HB THR 8 HB THR 8 0.461 11.674 -11.761 51 HG1 THR 8 HG1 THR 8 -1.117 10.338 -11.173 52 HG21 THR 8 3HG2 THR 8 0.890 11.047 -9.444 53 HG22 THR 8 1HG2 THR 8 -0.059 12.421 -8.876 54 HG23 THR 8 2HG2 THR 8 1.451 12.691 -9.747 55 H ILE 9 H ILE 9 -2.846 12.684 -10.622 56 HA ILE 9 HA ILE 9 -3.440 14.882 -8.789 57 HB ILE 9 HB ILE 9 -5.084 12.492 -9.672 58 HG12 ILE 9 2HG1 ILE 9 -4.732 14.181 -11.425 59 HG13 ILE 9 1HG1 ILE 9 -6.411 14.158 -10.901 60 HG21 ILE 9 1HG2 ILE 9 -5.914 14.801 -7.907 61 HG22 ILE 9 2HG2 ILE 9 -5.721 13.121 -7.406 62 HG23 ILE 9 3HG2 ILE 9 -6.990 13.557 -8.549 63 HD11 ILE 9 3HD1 ILE 9 -5.611 16.428 -11.243 64 HD12 ILE 9 1HD1 ILE 9 -4.333 16.166 -10.056 65 HD13 ILE 9 2HD1 ILE 9 -6.023 16.151 -9.550 66 HA PRO 10 HA PRO 10 -1.916 12.644 -5.216 67 HB2 PRO 10 2HB PRO 10 -3.469 13.889 -3.298 68 HB3 PRO 10 1HB PRO 10 -1.973 14.553 -3.962 69 HG2 PRO 10 2HG PRO 10 -4.814 15.153 -4.709 70 HG3 PRO 10 1HG PRO 10 -3.447 16.268 -4.516 71 HD2 PRO 10 2HD PRO 10 -4.285 15.492 -6.944 72 HD3 PRO 10 1HD PRO 10 -2.559 15.740 -6.603 73 H GLU 11 H GLU 11 -3.036 10.692 -6.139 74 HA GLU 11 HA GLU 11 -5.497 9.935 -4.750 75 HB2 GLU 11 2HB GLU 11 -3.845 8.431 -6.801 76 HB3 GLU 11 1HB GLU 11 -5.350 7.851 -6.098 77 HG2 GLU 11 2HG GLU 11 -6.466 9.902 -7.015 78 HG3 GLU 11 1HG GLU 11 -4.968 10.254 -7.874 79 H ALA 12 H ALA 12 -2.466 10.103 -3.789 80 HA ALA 12 HA ALA 12 -2.632 7.691 -2.097 81 HB1 ALA 12 3HB ALA 12 -0.142 9.176 -2.959 82 HB2 ALA 12 1HB ALA 12 -0.680 7.616 -3.578 83 HB3 ALA 12 2HB ALA 12 -0.188 7.772 -1.890 84 H CYS 13 H CYS 13 -1.407 8.078 0.071 85 HA CYS 13 HA CYS 13 -2.323 10.659 1.156 86 HB2 CYS 13 2HB CYS 13 -1.626 8.052 2.527 87 HB3 CYS 13 1HB CYS 13 -2.047 9.527 3.385 88 H LYS 14 H LYS 14 -0.966 12.114 2.097 89 HA LYS 14 HA LYS 14 1.816 11.927 1.364 90 HB2 LYS 14 2HB LYS 14 0.500 14.017 1.155 91 HB3 LYS 14 1HB LYS 14 0.367 14.092 2.906 92 HG2 LYS 14 2HG LYS 14 2.792 14.347 3.090 93 HG3 LYS 14 1HG LYS 14 2.942 14.234 1.333 94 HD2 LYS 14 2HD LYS 14 1.517 16.257 1.122 95 HD3 LYS 14 1HD LYS 14 1.477 16.386 2.881 96 HE2 LYS 14 2HE LYS 14 3.920 16.651 2.912 97 HE3 LYS 14 1HE LYS 14 3.956 16.522 1.154 98 HZ1 LYS 14 3HZ LYS 14 4.051 18.819 1.863 99 HZ2 LYS 14 1HZ LYS 14 2.596 18.655 2.707 100 HZ3 LYS 14 2HZ LYS 14 2.613 18.531 1.022 101 H GLY 15 H GLY 15 3.380 11.062 2.580 102 HA2 GLY 15 2HA GLY 15 4.691 10.729 4.492 103 HA3 GLY 15 1HA GLY 15 3.427 11.460 5.470 104 H GLU 16 H GLU 16 2.045 9.217 3.460 105 HA GLU 16 HA GLU 16 2.234 7.035 5.441 106 HB2 GLU 16 2HB GLU 16 -0.294 8.026 4.087 107 HB3 GLU 16 1HB GLU 16 -0.190 6.645 5.172 108 HG2 GLU 16 2HG GLU 16 0.381 8.082 7.023 109 HG3 GLU 16 1HG GLU 16 0.458 9.483 5.956 110 H MET 17 H MET 17 1.591 4.916 4.573 111 HA MET 17 HA MET 17 2.389 4.609 1.777 112 HB2 MET 17 2HB MET 17 1.874 2.531 3.916 113 HB3 MET 17 1HB MET 17 2.436 2.183 2.288 114 HG2 MET 17 2HG MET 17 4.438 3.598 2.759 115 HG3 MET 17 1HG MET 17 3.895 3.708 4.432 116 HE1 MET 17 3HE MET 17 3.378 1.387 5.885 117 HE2 MET 17 1HE MET 17 3.828 -0.207 5.283 118 HE3 MET 17 2HE MET 17 2.538 0.701 4.493 119 H LYS 18 H LYS 18 1.114 3.780 0.182 120 HA LYS 18 HA LYS 18 -1.770 3.826 0.654 121 HB2 LYS 18 2HB LYS 18 -0.919 5.199 -1.145 122 HB3 LYS 18 1HB LYS 18 -0.096 3.824 -1.865 123 HG2 LYS 18 2HG LYS 18 -2.209 2.806 -2.446 124 HG3 LYS 18 1HG LYS 18 -3.087 4.088 -1.604 125 HD2 LYS 18 2HD LYS 18 -2.248 5.742 -3.170 126 HD3 LYS 18 1HD LYS 18 -1.256 4.524 -3.973 127 HE2 LYS 18 2HE LYS 18 -3.231 3.360 -4.738 128 HE3 LYS 18 1HE LYS 18 -4.269 4.447 -3.816 129 HZ1 LYS 18 3HZ LYS 18 -3.617 6.263 -5.202 130 HZ2 LYS 18 1HZ LYS 18 -4.141 5.001 -6.196 131 HZ3 LYS 18 2HZ LYS 18 -2.488 5.313 -6.028 132 H CYS 19 H CYS 19 -2.741 1.958 1.129 133 HA CYS 19 HA CYS 19 -1.698 -0.575 0.021 134 HB2 CYS 19 2HB CYS 19 -3.614 -0.167 2.333 135 HB3 CYS 19 1HB CYS 19 -2.921 -1.699 1.815 136 H ILE 20 H ILE 20 -2.780 -1.351 -1.702 137 HA ILE 20 HA ILE 20 -5.708 -0.983 -1.824 138 HB ILE 20 HB ILE 20 -5.582 -0.616 -4.258 139 HG12 ILE 20 2HG1 ILE 20 -2.588 -0.388 -3.818 140 HG13 ILE 20 1HG1 ILE 20 -3.390 -1.725 -4.636 141 HG21 ILE 20 1HG2 ILE 20 -4.004 1.384 -2.632 142 HG22 ILE 20 2HG2 ILE 20 -5.760 1.308 -2.783 143 HG23 ILE 20 3HG2 ILE 20 -4.771 1.707 -4.188 144 HD11 ILE 20 3HD1 ILE 20 -4.168 -0.194 -6.369 145 HD12 ILE 20 1HD1 ILE 20 -2.410 -0.183 -6.226 146 HD13 ILE 20 2HD1 ILE 20 -3.358 1.142 -5.550 147 H ASN 21 H ASN 21 -6.856 -2.579 -3.049 148 HA ASN 21 HA ASN 21 -5.310 -5.048 -3.549 149 HB2 ASN 21 2HB ASN 21 -7.407 -6.305 -3.172 150 HB3 ASN 21 1HB ASN 21 -6.911 -5.390 -1.755 151 HD21 ASN 21 1HD2 ASN 21 -9.002 -5.469 -0.948 152 HD22 ASN 21 2HD2 ASN 21 -10.272 -4.489 -1.587 153 H HIS 22 H HIS 22 -6.243 -6.468 -5.287 154 HA HIS 22 HA HIS 22 -6.428 -4.985 -7.704 155 HB2 HIS 22 2HB HIS 22 -6.970 -7.933 -7.255 156 HB3 HIS 22 1HB HIS 22 -6.685 -7.161 -8.811 157 HD1 HIS 22 HD1 HIS 22 -4.916 -8.402 -5.768 158 HD2 HIS 22 HD2 HIS 22 -4.004 -6.443 -9.316 159 HE1 HIS 22 HE1 HIS 22 -2.416 -8.432 -5.928 160 HE2 HIS 22 HE2 HIS 22 -1.896 -7.019 -7.936 161 H TYR 23 H TYR 23 -8.787 -5.765 -5.433 162 HA TYR 23 HA TYR 23 -11.062 -5.911 -7.166 163 HB2 TYR 23 2HB TYR 23 -11.083 -6.869 -4.896 164 HB3 TYR 23 1HB TYR 23 -10.883 -5.262 -4.209 165 HD1 TYR 23 HD1 TYR 23 -13.222 -7.464 -6.048 166 HD2 TYR 23 HD2 TYR 23 -12.762 -3.799 -3.923 167 HE1 TYR 23 HE1 TYR 23 -15.666 -7.198 -5.983 168 HE2 TYR 23 HE2 TYR 23 -15.202 -3.528 -3.855 169 HH TYR 23 HH TYR 23 -17.353 -6.010 -4.563 170 H GLY 24 H GLY 24 -9.262 -3.299 -5.655 171 HA2 GLY 24 2HA GLY 24 -9.401 -1.117 -6.790 172 HA3 GLY 24 1HA GLY 24 -11.138 -1.351 -6.877 173 H GLY 25 H GLY 25 -9.862 -2.360 -3.891 174 HA2 GLY 25 2HA GLY 25 -11.116 -0.181 -2.479 175 HA3 GLY 25 1HA GLY 25 -10.280 -1.548 -1.760 176 H TYR 26 H TYR 26 -10.073 1.157 -0.858 177 HA TYR 26 HA TYR 26 -7.235 1.740 -1.448 178 HB2 TYR 26 2HB TYR 26 -8.575 3.332 -2.702 179 HB3 TYR 26 1HB TYR 26 -9.493 3.750 -1.260 180 HD1 TYR 26 HD2 TYR 26 -6.057 3.851 -2.698 181 HD2 TYR 26 HD1 TYR 26 -8.774 5.510 0.129 182 HE1 TYR 26 HE2 TYR 26 -4.446 5.640 -2.205 183 HE2 TYR 26 HE1 TYR 26 -7.168 7.305 0.626 184 HH TYR 26 HH TYR 26 -4.708 7.679 0.467 185 H LEU 27 H LEU 27 -5.996 1.793 0.318 186 HA LEU 27 HA LEU 27 -7.095 2.822 2.856 187 HB2 LEU 27 2HB LEU 27 -5.419 0.322 2.537 188 HB3 LEU 27 1HB LEU 27 -5.774 1.084 4.077 189 HG LEU 27 HG LEU 27 -7.820 -0.142 2.210 190 HD11 LEU 27 1HD1 LEU 27 -6.727 -1.136 4.845 191 HD12 LEU 27 2HD1 LEU 27 -6.408 -1.827 3.255 192 HD13 LEU 27 3HD1 LEU 27 -8.038 -1.876 3.922 193 HD21 LEU 27 3HD2 LEU 27 -8.137 1.058 4.971 194 HD22 LEU 27 1HD2 LEU 27 -9.390 0.193 4.079 195 HD23 LEU 27 2HD2 LEU 27 -8.765 1.720 3.461 196 H CYS 28 H CYS 28 -5.474 3.644 4.343 197 HA CYS 28 HA CYS 28 -2.787 4.078 3.214 198 HB2 CYS 28 2HB CYS 28 -4.573 6.187 4.428 199 HB3 CYS 28 1HB CYS 28 -2.834 6.398 4.251 200 H LEU 29 H LEU 29 -1.350 3.183 4.534 201 HA LEU 29 HA LEU 29 -1.896 3.110 7.438 202 HB2 LEU 29 2HB LEU 29 -0.173 1.327 5.709 203 HB3 LEU 29 1HB LEU 29 -0.264 1.214 7.458 204 HG LEU 29 HG LEU 29 -2.500 0.689 5.492 205 HD11 LEU 29 1HD1 LEU 29 -1.050 -1.147 7.398 206 HD12 LEU 29 2HD1 LEU 29 -0.851 -1.100 5.646 207 HD13 LEU 29 3HD1 LEU 29 -2.394 -1.590 6.343 208 HD21 LEU 29 3HD2 LEU 29 -3.860 0.068 7.439 209 HD22 LEU 29 1HD2 LEU 29 -3.411 1.773 7.476 210 HD23 LEU 29 2HD2 LEU 29 -2.574 0.618 8.513 211 HA PRO 30 HA PRO 30 1.594 5.650 8.481 212 HB2 PRO 30 2HB PRO 30 2.922 4.084 10.354 213 HB3 PRO 30 1HB PRO 30 1.532 5.117 10.698 214 HG2 PRO 30 2HG PRO 30 1.616 2.171 10.161 215 HG3 PRO 30 1HG PRO 30 0.668 3.067 11.367 216 HD2 PRO 30 2HD PRO 30 -0.464 2.187 9.112 217 HD3 PRO 30 1HD PRO 30 -0.896 3.774 9.786 218 H ARG 31 H ARG 31 3.614 6.051 7.701 219 HA ARG 31 HA ARG 31 4.796 4.098 5.932 220 HB2 ARG 31 2HB ARG 31 4.611 6.571 5.471 221 HB3 ARG 31 1HB ARG 31 5.855 6.834 6.682 222 HG2 ARG 31 2HG ARG 31 7.469 5.612 5.357 223 HG3 ARG 31 1HG ARG 31 6.223 5.185 4.180 224 HD2 ARG 31 2HD ARG 31 5.886 7.678 3.836 225 HD3 ARG 31 1HD ARG 31 7.361 7.916 4.769 226 HE ARG 31 HE ARG 31 7.751 6.097 2.613 227 HH11 ARG 31 1HH1 ARG 31 7.562 9.457 3.390 228 HH12 ARG 31 2HH1 ARG 31 8.454 9.933 1.988 229 HH21 ARG 31 1HH2 ARG 31 8.867 6.725 0.827 230 HH22 ARG 31 2HH2 ARG 31 9.182 8.403 0.547 231 H SER 32 H SER 32 4.997 4.510 9.175 232 HA SER 32 HA SER 32 7.769 4.089 9.694 233 HB2 SER 32 2HB SER 32 5.353 3.531 11.435 234 HB3 SER 32 1HB SER 32 7.026 3.525 11.990 235 HG SER 32 HG SER 32 5.344 5.636 11.490 236 H ALA 33 H ALA 33 5.524 2.028 8.320 237 HA ALA 33 HA ALA 33 6.397 -0.419 9.607 238 HB1 ALA 33 3HB ALA 33 4.843 -1.544 8.105 239 HB2 ALA 33 1HB ALA 33 4.607 -0.047 7.203 240 HB3 ALA 33 2HB ALA 33 4.064 -0.161 8.876 241 H ALA 34 H ALA 34 7.311 -2.240 8.380 242 HA ALA 34 HA ALA 34 9.588 -1.260 6.876 243 HB1 ALA 34 3HB ALA 34 8.965 -4.048 7.855 244 HB2 ALA 34 1HB ALA 34 9.922 -2.840 8.714 245 HB3 ALA 34 2HB ALA 34 10.503 -3.502 7.186 246 H VAL 35 H VAL 35 10.217 -1.890 4.811 247 HA VAL 35 HA VAL 35 8.063 -3.075 3.153 248 HB VAL 35 HB VAL 35 8.827 -1.624 1.308 249 HG11 VAL 35 1HG1 VAL 35 7.915 0.471 2.160 250 HG12 VAL 35 2HG1 VAL 35 8.144 -0.084 3.818 251 HG13 VAL 35 3HG1 VAL 35 6.983 -0.899 2.769 252 HG21 VAL 35 3HG2 VAL 35 10.665 -0.433 3.393 253 HG22 VAL 35 1HG2 VAL 35 10.362 0.257 1.798 254 HG23 VAL 35 2HG2 VAL 35 11.151 -1.314 1.945 255 H ILE 36 H ILE 36 10.813 -4.126 4.345 256 HA ILE 36 HA ILE 36 12.434 -4.641 2.065 257 HB ILE 36 HB ILE 36 13.801 -6.080 3.431 258 HG12 ILE 36 2HG1 ILE 36 11.998 -7.274 4.682 259 HG13 ILE 36 1HG1 ILE 36 13.297 -6.702 5.718 260 HG21 ILE 36 1HG2 ILE 36 14.373 -4.495 5.237 261 HG22 ILE 36 2HG2 ILE 36 12.877 -3.617 4.910 262 HG23 ILE 36 3HG2 ILE 36 14.134 -3.712 3.675 263 HD11 ILE 36 3HD1 ILE 36 10.581 -5.444 5.395 264 HD12 ILE 36 1HD1 ILE 36 11.883 -4.810 6.405 265 HD13 ILE 36 2HD1 ILE 36 11.159 -6.375 6.775 266 H ASN 37 H ASN 37 10.443 -6.984 3.948 267 HA ASN 37 HA ASN 37 9.356 -8.395 1.826 268 HB2 ASN 37 2HB ASN 37 11.769 -8.908 1.278 269 HB3 ASN 37 1HB ASN 37 11.891 -9.749 2.820 270 HD21 ASN 37 1HD2 ASN 37 10.842 -11.722 3.078 271 HD22 ASN 37 2HD2 ASN 37 10.224 -12.620 1.736 272 H ASP 38 H ASP 38 8.640 -10.717 2.601 273 HA ASP 38 HA ASP 38 7.530 -10.477 5.217 274 HB2 ASP 38 2HB ASP 38 6.549 -12.642 4.850 275 HB3 ASP 38 1HB ASP 38 6.472 -11.755 3.332 276 H LEU 39 H LEU 39 7.927 -11.819 7.068 277 HA LEU 39 HA LEU 39 10.745 -12.682 7.253 278 HB2 LEU 39 2HB LEU 39 8.885 -11.756 9.454 279 HB3 LEU 39 1HB LEU 39 10.541 -12.273 9.686 280 HG LEU 39 HG LEU 39 10.585 -9.918 9.780 281 HD11 LEU 39 1HD1 LEU 39 12.404 -10.849 8.467 282 HD12 LEU 39 2HD1 LEU 39 11.948 -9.256 7.861 283 HD13 LEU 39 3HD1 LEU 39 11.441 -10.705 6.994 284 HD21 LEU 39 3HD2 LEU 39 8.380 -9.467 8.833 285 HD22 LEU 39 1HD2 LEU 39 8.979 -9.847 7.220 286 HD23 LEU 39 2HD2 LEU 39 9.607 -8.445 8.088 287 H HIS 40 H HIS 40 8.173 -14.223 6.494 288 HA HIS 40 HA HIS 40 8.119 -16.245 8.616 289 HB2 HIS 40 2HB HIS 40 5.989 -15.381 7.626 290 HB3 HIS 40 1HB HIS 40 6.451 -16.109 6.091 291 HD1 HIS 40 HD1 HIS 40 5.753 -18.485 5.747 292 HD2 HIS 40 HD2 HIS 40 5.625 -17.379 9.748 293 HE1 HIS 40 HE1 HIS 40 4.730 -20.432 6.947 294 HE2 HIS 40 HE2 HIS 40 4.483 -19.661 9.327 295 H GLY 41 H GLY 41 9.873 -15.696 5.831 296 HA2 GLY 41 2HA GLY 41 9.975 -18.265 4.646 297 HA3 GLY 41 1HA GLY 41 11.175 -17.001 4.460 298 H GLU 42 H GLU 42 11.516 -19.902 4.743 299 HA GLU 42 HA GLU 42 13.095 -20.025 7.235 300 HB2 GLU 42 2HB GLU 42 11.252 -21.737 6.806 301 HB3 GLU 42 1HB GLU 42 12.245 -22.354 5.493 302 HG2 GLU 42 2HG GLU 42 14.015 -22.909 7.070 303 HG3 GLU 42 1HG GLU 42 13.065 -22.238 8.393 304 H GLY 43 H GLY 43 15.049 -21.755 6.815 305 HA2 GLY 43 2HA GLY 43 17.050 -20.641 5.358 306 HA3 GLY 43 1HA GLY 43 16.941 -22.368 5.649 307 HA PRO 44 HA PRO 44 15.806 -22.590 1.238 308 HB2 PRO 44 2HB PRO 44 14.663 -25.014 1.092 309 HB3 PRO 44 1HB PRO 44 16.365 -24.819 1.529 310 HG2 PRO 44 2HG PRO 44 14.071 -25.582 3.225 311 HG3 PRO 44 1HG PRO 44 15.796 -25.890 3.465 312 HD2 PRO 44 2HD PRO 44 14.163 -23.790 4.620 313 HD3 PRO 44 1HD PRO 44 15.866 -24.169 4.945 314 HA PRO 45 HA PRO 45 11.314 -21.476 1.516 315 HB2 PRO 45 2HB PRO 45 11.442 -18.867 1.074 316 HB3 PRO 45 1HB PRO 45 12.011 -19.527 2.614 317 HG2 PRO 45 2HG PRO 45 13.587 -18.543 0.277 318 HG3 PRO 45 1HG PRO 45 13.964 -18.448 2.004 319 HD2 PRO 45 2HD PRO 45 14.891 -20.400 0.134 320 HD3 PRO 45 1HD PRO 45 15.151 -20.382 1.889 321 HA PRO 46 HA PRO 46 10.413 -21.372 -2.912 322 HB2 PRO 46 2HB PRO 46 7.981 -20.134 -2.915 323 HB3 PRO 46 1HB PRO 46 8.207 -21.812 -2.410 324 HG2 PRO 46 2HG PRO 46 7.963 -19.345 -0.722 325 HG3 PRO 46 1HG PRO 46 7.212 -20.936 -0.492 326 HD2 PRO 46 2HD PRO 46 9.413 -20.165 0.885 327 HD3 PRO 46 1HD PRO 46 9.134 -21.855 0.415 328 HA PRO 47 HA PRO 47 12.039 -17.210 -3.624 329 HB2 PRO 47 2HB PRO 47 13.120 -17.643 -6.045 330 HB3 PRO 47 1HB PRO 47 13.818 -18.334 -4.575 331 HG2 PRO 47 2HG PRO 47 12.027 -19.634 -6.607 332 HG3 PRO 47 1HG PRO 47 13.509 -20.264 -5.859 333 HD2 PRO 47 2HD PRO 47 11.000 -20.932 -5.009 334 HD3 PRO 47 1HD PRO 47 12.415 -20.904 -3.939 335 H VAL 48 H VAL 48 9.160 -18.119 -4.548 336 HA VAL 48 HA VAL 48 8.859 -15.910 -6.473 337 HB VAL 48 HB VAL 48 7.032 -17.222 -7.617 338 HG11 VAL 48 1HG1 VAL 48 9.841 -18.328 -7.778 339 HG12 VAL 48 2HG1 VAL 48 9.211 -16.931 -8.655 340 HG13 VAL 48 3HG1 VAL 48 8.583 -18.543 -8.997 341 HG21 VAL 48 3HG2 VAL 48 7.081 -19.670 -7.415 342 HG22 VAL 48 1HG2 VAL 48 6.642 -18.903 -5.890 343 HG23 VAL 48 2HG2 VAL 48 8.270 -19.539 -6.119 344 HA PRO 49 HA PRO 49 5.594 -15.075 -3.416 345 HB2 PRO 49 2HB PRO 49 6.097 -12.482 -3.068 346 HB3 PRO 49 1HB PRO 49 7.174 -13.700 -2.374 347 HG2 PRO 49 2HG PRO 49 7.549 -11.997 -4.799 348 HG3 PRO 49 1HG PRO 49 8.747 -12.528 -3.607 349 HD2 PRO 49 2HD PRO 49 8.250 -13.704 -6.126 350 HD3 PRO 49 1HD PRO 49 9.218 -14.402 -4.811 351 HA PRO 50 HA PRO 50 2.480 -13.337 -6.221 352 HB2 PRO 50 2HB PRO 50 1.022 -11.790 -4.454 353 HB3 PRO 50 1HB PRO 50 0.834 -13.537 -4.629 354 HG2 PRO 50 2HG PRO 50 2.408 -12.001 -2.594 355 HG3 PRO 50 1HG PRO 50 1.364 -13.418 -2.364 356 HD2 PRO 50 2HD PRO 50 4.036 -13.653 -2.440 357 HD3 PRO 50 1HD PRO 50 2.986 -14.892 -3.159 358 H ALA 51 H ALA 51 4.347 -11.309 -4.098 359 HA ALA 51 HA ALA 51 4.977 -9.450 -6.184 360 HB1 ALA 51 3HB ALA 51 4.153 -7.432 -5.056 361 HB2 ALA 51 1HB ALA 51 3.405 -8.431 -3.809 362 HB3 ALA 51 2HB ALA 51 2.824 -8.514 -5.471 363 H GLN 52 H GLN 52 6.867 -8.238 -5.653 364 HA GLN 52 HA GLN 52 8.474 -9.394 -3.569 365 HB2 GLN 52 2HB GLN 52 9.364 -8.608 -5.795 366 HB3 GLN 52 1HB GLN 52 9.094 -6.955 -5.261 367 HG2 GLN 52 2HG GLN 52 11.384 -7.402 -4.921 368 HG3 GLN 52 1HG GLN 52 10.638 -7.437 -3.325 369 HE21 GLN 52 1HE2 GLN 52 13.118 -8.631 -4.137 370 HE22 GLN 52 2HE2 GLN 52 12.969 -10.330 -3.859 371 H HIS 53 H HIS 53 6.731 -8.700 -1.941 372 HA HIS 53 HA HIS 53 7.623 -6.300 -0.561 373 HB2 HIS 53 2HB HIS 53 4.749 -6.624 -1.480 374 HB3 HIS 53 1HB HIS 53 5.285 -5.433 -0.304 375 HD1 HIS 53 HD1 HIS 53 5.285 -6.172 -3.962 376 HD2 HIS 53 HD2 HIS 53 6.655 -3.214 -1.389 377 HE1 HIS 53 HE1 HIS 53 5.924 -4.247 -5.430 378 HE2 HIS 53 HE2 HIS 53 6.550 -2.407 -3.843 379 HA PRO 54 HA PRO 54 6.678 -8.764 3.061 380 HB2 PRO 54 2HB PRO 54 6.162 -6.737 4.842 381 HB3 PRO 54 1HB PRO 54 7.788 -7.232 4.355 382 HG2 PRO 54 2HG PRO 54 6.113 -4.963 3.343 383 HG3 PRO 54 1HG PRO 54 7.840 -4.986 3.749 384 HD2 PRO 54 2HD PRO 54 6.985 -5.124 1.205 385 HD3 PRO 54 1HD PRO 54 8.421 -6.018 1.749 386 H ASN 55 H ASN 55 4.432 -6.490 1.716 387 HA ASN 55 HA ASN 55 2.238 -6.007 1.988 388 HB2 ASN 55 2HB ASN 55 2.191 -8.957 2.657 389 HB3 ASN 55 1HB ASN 55 0.728 -7.985 2.537 390 HD21 ASN 55 1HD2 ASN 55 0.044 -7.264 0.527 391 HD22 ASN 55 2HD2 ASN 55 0.694 -7.894 -0.948 392 HA PRO 56 HA PRO 56 2.692 -5.456 6.665 393 HB2 PRO 56 2HB PRO 56 2.669 -2.711 6.511 394 HB3 PRO 56 1HB PRO 56 4.147 -3.680 6.526 395 HG2 PRO 56 2HG PRO 56 2.688 -2.488 4.194 396 HG3 PRO 56 1HG PRO 56 4.432 -2.536 4.518 397 HD2 PRO 56 2HD PRO 56 3.275 -4.242 2.792 398 HD3 PRO 56 1HD PRO 56 4.630 -4.745 3.825 399 H CYS 57 H CYS 57 0.689 -4.509 4.056 400 HA CYS 57 HA CYS 57 -1.466 -3.436 5.686 401 HB2 CYS 57 2HB CYS 57 -1.661 -4.134 2.752 402 HB3 CYS 57 1HB CYS 57 -2.529 -2.886 3.641 403 HA PRO 58 HA PRO 58 -3.728 -7.111 6.696 404 HB2 PRO 58 2HB PRO 58 -5.946 -5.765 5.166 405 HB3 PRO 58 1HB PRO 58 -6.010 -6.608 6.721 406 HG2 PRO 58 2HG PRO 58 -5.922 -3.949 6.635 407 HG3 PRO 58 1HG PRO 58 -5.016 -4.845 7.869 408 HD2 PRO 58 2HD PRO 58 -4.018 -3.405 5.466 409 HD3 PRO 58 1HD PRO 58 -3.199 -3.747 7.004 410 HA PRO 59 HA PRO 59 -2.881 -9.838 3.253 411 HB2 PRO 59 2HB PRO 59 -5.156 -11.320 4.543 412 HB3 PRO 59 1HB PRO 59 -3.612 -11.940 3.939 413 HG2 PRO 59 2HG PRO 59 -3.961 -11.530 6.543 414 HG3 PRO 59 1HG PRO 59 -2.418 -11.130 5.768 415 HD2 PRO 59 2HD PRO 59 -4.560 -9.321 6.760 416 HD3 PRO 59 1HD PRO 59 -2.814 -9.036 6.619 417 H GLY 60 H GLY 60 -3.555 -9.794 1.194 418 HA2 GLY 60 2HA GLY 60 -5.299 -9.991 -0.483 419 HA3 GLY 60 1HA GLY 60 -6.406 -9.211 0.638 420 H TYR 61 H TYR 61 -4.327 -7.216 1.417 421 HA TYR 61 HA TYR 61 -4.568 -5.451 -0.926 422 HB2 TYR 61 2HB TYR 61 -3.933 -4.856 1.976 423 HB3 TYR 61 1HB TYR 61 -3.919 -3.644 0.701 424 HD1 TYR 61 HD1 TYR 61 -6.019 -2.910 -0.346 425 HD2 TYR 61 HD2 TYR 61 -6.025 -5.718 2.859 426 HE1 TYR 61 HE1 TYR 61 -8.423 -2.522 -0.014 427 HE2 TYR 61 HE2 TYR 61 -8.427 -5.333 3.193 428 HH TYR 61 HH TYR 61 -10.072 -3.473 2.730 429 H GLU 62 H GLU 62 -2.832 -4.823 -2.093 430 HA GLU 62 HA GLU 62 -0.149 -5.563 -1.136 431 HB2 GLU 62 2HB GLU 62 0.586 -5.493 -3.421 432 HB3 GLU 62 1HB GLU 62 -0.898 -6.433 -3.369 433 HG2 GLU 62 2HG GLU 62 -2.161 -4.568 -4.244 434 HG3 GLU 62 1HG GLU 62 -0.735 -3.534 -4.182 435 HA PRO 63 HA PRO 63 0.909 -1.227 -0.668 436 HB2 PRO 63 2HB PRO 63 3.683 -1.963 -1.337 437 HB3 PRO 63 1HB PRO 63 3.030 -1.323 0.171 438 HG2 PRO 63 2HG PRO 63 3.874 -3.871 -0.038 439 HG3 PRO 63 1HG PRO 63 2.500 -3.423 0.992 440 HD2 PRO 63 2HD PRO 63 2.498 -4.641 -1.756 441 HD3 PRO 63 1HD PRO 63 1.497 -5.047 -0.342 442 H ASP 64 H ASP 64 0.586 0.318 -2.164 443 HA ASP 64 HA ASP 64 1.104 -0.214 -4.967 444 HB2 ASP 64 2HB ASP 64 -0.981 0.899 -4.270 445 HB3 ASP 64 1HB ASP 64 -0.054 2.244 -3.617 446 H ASP 65 H ASP 65 3.060 0.128 -5.828 447 HA ASP 65 HA ASP 65 4.928 2.000 -4.641 448 HB2 ASP 65 2HB ASP 65 5.248 0.456 -7.230 449 HB3 ASP 65 1HB ASP 65 6.523 1.191 -6.265 450 H GLN 66 H GLN 66 4.651 4.127 -5.039 451 HA GLN 66 HA GLN 66 3.684 4.961 -7.683 452 HB2 GLN 66 2HB GLN 66 3.274 7.168 -6.626 453 HB3 GLN 66 1HB GLN 66 2.387 5.858 -5.863 454 HG2 GLN 66 2HG GLN 66 3.970 5.814 -4.023 455 HG3 GLN 66 1HG GLN 66 4.942 7.057 -4.804 456 HE21 GLN 66 1HE2 GLN 66 2.549 8.531 -5.707 457 HE22 GLN 66 2HE2 GLN 66 1.940 9.316 -4.295 458 H ASP 67 H ASP 67 5.407 4.962 -9.003 459 HA ASP 67 HA ASP 67 7.879 6.321 -8.227 460 HB2 ASP 67 2HB ASP 67 7.152 4.881 -10.796 461 HB3 ASP 67 1HB ASP 67 8.758 5.458 -10.351 462 H SER 68 H SER 68 4.958 7.184 -9.446 463 HA SER 68 HA SER 68 5.271 8.884 -11.561 464 HB2 SER 68 2HB SER 68 3.088 8.498 -10.650 465 HB3 SER 68 1HB SER 68 3.543 9.203 -9.098 466 HG SER 68 HG SER 68 2.623 10.417 -11.342 467 H CYS 69 H CYS 69 5.607 9.909 -8.130 468 HA CYS 69 HA CYS 69 7.435 12.031 -9.049 469 HB2 CYS 69 2HB CYS 69 5.074 12.898 -8.699 470 HB3 CYS 69 1HB CYS 69 5.285 12.541 -6.988 471 H VAL 70 H VAL 70 9.296 11.301 -8.157 472 HA VAL 70 HA VAL 70 9.370 11.040 -5.211 473 HB VAL 70 HB VAL 70 11.157 9.345 -5.419 474 HG11 VAL 70 1HG1 VAL 70 9.736 7.465 -6.141 475 HG12 VAL 70 2HG1 VAL 70 8.587 8.612 -6.831 476 HG13 VAL 70 3HG1 VAL 70 8.874 8.590 -5.090 477 HG21 VAL 70 3HG2 VAL 70 10.521 9.397 -8.375 478 HG22 VAL 70 1HG2 VAL 70 11.614 8.270 -7.570 479 HG23 VAL 70 2HG2 VAL 70 12.005 9.989 -7.627 480 H ASP 71 H ASP 71 11.804 11.145 -4.471 481 HA ASP 71 HA ASP 71 12.806 13.715 -5.312 482 HB2 ASP 71 2HB ASP 71 13.861 11.709 -3.301 483 HB3 ASP 71 1HB ASP 71 14.544 13.311 -3.555 Start of MODEL 16 1 H1 SER 1 1H SER 1 -0.963 -4.185 -18.207 2 H2 SER 1 2H SER 1 0.245 -2.999 -18.152 3 H3 SER 1 3H SER 1 -0.569 -3.310 -19.599 4 HA SER 1 HA SER 1 -2.642 -2.525 -18.658 5 HB2 SER 1 2HB SER 1 -0.939 -1.797 -16.255 6 HB3 SER 1 1HB SER 1 -2.649 -1.422 -16.462 7 HG SER 1 HG SER 1 -1.422 -3.783 -15.726 8 H ASP 2 H ASP 2 -3.068 -0.062 -18.186 9 HA ASP 2 HA ASP 2 -1.600 1.463 -20.081 10 HB2 ASP 2 2HB ASP 2 -3.553 2.382 -17.951 11 HB3 ASP 2 1HB ASP 2 -2.974 3.367 -19.293 12 H VAL 3 H VAL 3 -0.411 3.475 -19.667 13 HA VAL 3 HA VAL 3 1.044 3.433 -17.093 14 HB VAL 3 HB VAL 3 2.505 2.572 -18.828 15 HG11 VAL 3 1HG1 VAL 3 1.414 3.568 -20.778 16 HG12 VAL 3 2HG1 VAL 3 3.147 3.893 -20.783 17 HG13 VAL 3 3HG1 VAL 3 2.014 5.160 -20.312 18 HG21 VAL 3 3HG2 VAL 3 3.525 3.956 -17.086 19 HG22 VAL 3 1HG2 VAL 3 3.278 5.399 -18.069 20 HG23 VAL 3 2HG2 VAL 3 4.382 4.138 -18.616 21 H ASN 4 H ASN 4 1.167 5.301 -15.998 22 HA ASN 4 HA ASN 4 0.425 7.808 -17.373 23 HB2 ASN 4 2HB ASN 4 -0.630 8.518 -15.215 24 HB3 ASN 4 1HB ASN 4 -1.431 7.150 -15.979 25 HD21 ASN 4 1HD2 ASN 4 -1.471 7.966 -13.183 26 HD22 ASN 4 2HD2 ASN 4 -0.872 6.620 -12.285 27 H GLU 5 H GLU 5 1.658 9.607 -16.968 28 HA GLU 5 HA GLU 5 4.190 9.219 -15.622 29 HB2 GLU 5 2HB GLU 5 3.048 11.686 -16.950 30 HB3 GLU 5 1HB GLU 5 4.705 11.508 -16.392 31 HG2 GLU 5 2HG GLU 5 4.987 9.643 -18.007 32 HG3 GLU 5 1HG GLU 5 3.362 9.973 -18.608 33 H CYS 6 H CYS 6 4.796 11.648 -14.535 34 HA CYS 6 HA CYS 6 3.597 11.358 -11.955 35 HB2 CYS 6 2HB CYS 6 5.644 13.308 -13.008 36 HB3 CYS 6 1HB CYS 6 5.115 13.267 -11.326 37 H LEU 7 H LEU 7 2.366 12.979 -14.559 38 HA LEU 7 HA LEU 7 1.254 15.229 -13.097 39 HB2 LEU 7 2HB LEU 7 0.242 15.919 -15.096 40 HB3 LEU 7 1HB LEU 7 1.778 15.241 -15.588 41 HG LEU 7 HG LEU 7 -0.877 13.799 -15.810 42 HD11 LEU 7 1HD1 LEU 7 -0.794 15.732 -17.295 43 HD12 LEU 7 2HD1 LEU 7 -0.700 14.228 -18.211 44 HD13 LEU 7 3HD1 LEU 7 0.757 15.186 -17.937 45 HD21 LEU 7 3HD2 LEU 7 1.846 13.100 -16.909 46 HD22 LEU 7 1HD2 LEU 7 0.347 12.227 -17.226 47 HD23 LEU 7 2HD2 LEU 7 1.013 12.268 -15.594 48 H THR 8 H THR 8 0.703 12.130 -12.701 49 HA THR 8 HA THR 8 -2.110 11.818 -12.961 50 HB THR 8 HB THR 8 -0.631 9.877 -12.812 51 HG1 THR 8 HG1 THR 8 -2.015 9.381 -10.514 52 HG21 THR 8 3HG2 THR 8 0.370 9.203 -10.673 53 HG22 THR 8 1HG2 THR 8 -0.192 10.703 -9.932 54 HG23 THR 8 2HG2 THR 8 1.016 10.750 -11.217 55 H ILE 9 H ILE 9 -3.554 11.347 -11.050 56 HA ILE 9 HA ILE 9 -3.571 13.673 -9.337 57 HB ILE 9 HB ILE 9 -5.521 11.361 -9.461 58 HG12 ILE 9 2HG1 ILE 9 -5.383 12.556 -11.609 59 HG13 ILE 9 1HG1 ILE 9 -6.922 12.882 -10.819 60 HG21 ILE 9 1HG2 ILE 9 -7.079 12.860 -8.310 61 HG22 ILE 9 2HG2 ILE 9 -5.823 14.094 -8.204 62 HG23 ILE 9 3HG2 ILE 9 -5.635 12.570 -7.338 63 HD11 ILE 9 3HD1 ILE 9 -6.000 14.886 -11.832 64 HD12 ILE 9 1HD1 ILE 9 -4.535 14.720 -10.863 65 HD13 ILE 9 2HD1 ILE 9 -6.080 15.052 -10.079 66 HA PRO 10 HA PRO 10 -1.583 11.533 -5.925 67 HB2 PRO 10 2HB PRO 10 -2.240 13.883 -4.301 68 HB3 PRO 10 1HB PRO 10 -0.660 13.298 -4.825 69 HG2 PRO 10 2HG PRO 10 -1.764 15.571 -5.797 70 HG3 PRO 10 1HG PRO 10 -0.698 14.537 -6.769 71 HD2 PRO 10 2HD PRO 10 -3.700 14.706 -6.772 72 HD3 PRO 10 1HD PRO 10 -2.576 14.602 -8.147 73 H GLU 11 H GLU 11 -3.825 10.269 -6.146 74 HA GLU 11 HA GLU 11 -5.730 10.785 -4.057 75 HB2 GLU 11 2HB GLU 11 -5.321 8.389 -5.861 76 HB3 GLU 11 1HB GLU 11 -6.640 8.523 -4.704 77 HG2 GLU 11 2HG GLU 11 -7.461 10.516 -5.863 78 HG3 GLU 11 1HG GLU 11 -6.137 10.390 -7.020 79 H ALA 12 H ALA 12 -2.649 9.598 -3.916 80 HA ALA 12 HA ALA 12 -3.092 7.655 -1.789 81 HB1 ALA 12 3HB ALA 12 -0.526 8.672 -3.015 82 HB2 ALA 12 1HB ALA 12 -1.367 7.183 -3.443 83 HB3 ALA 12 2HB ALA 12 -0.653 7.362 -1.840 84 H CYS 13 H CYS 13 -1.579 7.895 0.204 85 HA CYS 13 HA CYS 13 -2.092 10.570 1.312 86 HB2 CYS 13 2HB CYS 13 -1.566 7.891 2.610 87 HB3 CYS 13 1HB CYS 13 -1.617 9.392 3.523 88 H LYS 14 H LYS 14 -0.530 11.932 1.939 89 HA LYS 14 HA LYS 14 2.223 11.325 1.326 90 HB2 LYS 14 2HB LYS 14 1.180 13.535 0.848 91 HB3 LYS 14 1HB LYS 14 1.040 13.814 2.578 92 HG2 LYS 14 2HG LYS 14 3.414 13.888 2.842 93 HG3 LYS 14 1HG LYS 14 3.672 13.342 1.181 94 HD2 LYS 14 2HD LYS 14 2.606 15.423 0.366 95 HD3 LYS 14 1HD LYS 14 2.422 15.962 2.036 96 HE2 LYS 14 2HE LYS 14 4.822 16.025 2.328 97 HE3 LYS 14 1HE LYS 14 5.074 15.335 0.724 98 HZ1 LYS 14 3HZ LYS 14 5.393 17.748 0.775 99 HZ2 LYS 14 1HZ LYS 14 3.791 17.959 1.263 100 HZ3 LYS 14 2HZ LYS 14 4.131 17.309 -0.258 101 H GLY 15 H GLY 15 3.713 10.543 2.718 102 HA2 GLY 15 2HA GLY 15 4.863 10.283 4.732 103 HA3 GLY 15 1HA GLY 15 3.612 11.202 5.551 104 H GLU 16 H GLU 16 2.090 8.891 3.746 105 HA GLU 16 HA GLU 16 2.340 6.744 5.729 106 HB2 GLU 16 2HB GLU 16 -0.308 7.890 4.803 107 HB3 GLU 16 1HB GLU 16 -0.125 6.429 5.765 108 HG2 GLU 16 2HG GLU 16 1.003 7.835 7.510 109 HG3 GLU 16 1HG GLU 16 0.536 9.254 6.575 110 H MET 17 H MET 17 1.299 4.674 4.914 111 HA MET 17 HA MET 17 2.291 4.323 2.193 112 HB2 MET 17 2HB MET 17 1.412 2.212 4.172 113 HB3 MET 17 1HB MET 17 2.306 1.945 2.681 114 HG2 MET 17 2HG MET 17 4.184 3.251 3.616 115 HG3 MET 17 1HG MET 17 3.287 3.400 5.129 116 HE1 MET 17 3HE MET 17 1.879 0.371 4.854 117 HE2 MET 17 1HE MET 17 2.319 1.162 6.369 118 HE3 MET 17 2HE MET 17 2.909 -0.463 6.018 119 H LYS 18 H LYS 18 1.139 3.610 0.494 120 HA LYS 18 HA LYS 18 -1.771 3.709 0.674 121 HB2 LYS 18 2HB LYS 18 -0.808 5.035 -1.067 122 HB3 LYS 18 1HB LYS 18 0.182 3.696 -1.636 123 HG2 LYS 18 2HG LYS 18 -1.885 2.515 -2.337 124 HG3 LYS 18 1HG LYS 18 -2.818 3.933 -1.852 125 HD2 LYS 18 2HD LYS 18 -1.672 5.304 -3.492 126 HD3 LYS 18 1HD LYS 18 -0.601 3.964 -3.912 127 HE2 LYS 18 2HE LYS 18 -2.631 2.683 -4.644 128 HE3 LYS 18 1HE LYS 18 -3.581 4.150 -4.391 129 HZ1 LYS 18 3HZ LYS 18 -2.237 5.275 -6.038 130 HZ2 LYS 18 1HZ LYS 18 -2.900 3.871 -6.708 131 HZ3 LYS 18 2HZ LYS 18 -1.272 3.902 -6.249 132 H CYS 19 H CYS 19 -2.713 1.849 1.235 133 HA CYS 19 HA CYS 19 -1.718 -0.704 0.131 134 HB2 CYS 19 2HB CYS 19 -3.659 -0.268 2.416 135 HB3 CYS 19 1HB CYS 19 -2.969 -1.806 1.913 136 H ILE 20 H ILE 20 -2.764 -1.368 -1.646 137 HA ILE 20 HA ILE 20 -5.672 -0.878 -1.867 138 HB ILE 20 HB ILE 20 -5.398 -0.573 -4.307 139 HG12 ILE 20 2HG1 ILE 20 -2.430 -0.475 -3.681 140 HG13 ILE 20 1HG1 ILE 20 -3.243 -1.777 -4.539 141 HG21 ILE 20 1HG2 ILE 20 -5.570 1.376 -2.834 142 HG22 ILE 20 2HG2 ILE 20 -4.531 1.714 -4.218 143 HG23 ILE 20 3HG2 ILE 20 -3.817 1.390 -2.638 144 HD11 ILE 20 3HD1 ILE 20 -3.023 1.075 -5.474 145 HD12 ILE 20 1HD1 ILE 20 -3.815 -0.243 -6.340 146 HD13 ILE 20 2HD1 ILE 20 -2.075 -0.290 -6.060 147 H ASN 21 H ASN 21 -6.812 -2.361 -3.333 148 HA ASN 21 HA ASN 21 -5.376 -4.914 -3.747 149 HB2 ASN 21 2HB ASN 21 -7.554 -6.076 -3.543 150 HB3 ASN 21 1HB ASN 21 -7.109 -5.228 -2.068 151 HD21 ASN 21 1HD2 ASN 21 -9.249 -5.197 -1.391 152 HD22 ASN 21 2HD2 ASN 21 -10.421 -4.145 -2.093 153 H HIS 22 H HIS 22 -6.425 -6.260 -5.574 154 HA HIS 22 HA HIS 22 -6.184 -4.822 -7.982 155 HB2 HIS 22 2HB HIS 22 -7.422 -7.543 -7.518 156 HB3 HIS 22 1HB HIS 22 -6.968 -6.897 -9.090 157 HD1 HIS 22 HD1 HIS 22 -5.509 -8.349 -5.960 158 HD2 HIS 22 HD2 HIS 22 -4.207 -6.935 -9.644 159 HE1 HIS 22 HE1 HIS 22 -3.134 -9.115 -6.172 160 HE2 HIS 22 HE2 HIS 22 -2.309 -8.078 -8.305 161 H TYR 23 H TYR 23 -8.889 -5.074 -5.926 162 HA TYR 23 HA TYR 23 -10.906 -4.675 -7.968 163 HB2 TYR 23 2HB TYR 23 -11.016 -4.670 -4.946 164 HB3 TYR 23 1HB TYR 23 -12.418 -4.323 -5.954 165 HD1 TYR 23 HD1 TYR 23 -9.708 -6.925 -6.013 166 HD2 TYR 23 HD2 TYR 23 -13.886 -6.099 -6.039 167 HE1 TYR 23 HE1 TYR 23 -10.179 -9.327 -6.178 168 HE2 TYR 23 HE2 TYR 23 -14.363 -8.504 -6.206 169 HH TYR 23 HH TYR 23 -13.398 -10.541 -6.757 170 H GLY 24 H GLY 24 -8.977 -2.678 -5.835 171 HA2 GLY 24 2HA GLY 24 -8.677 -0.336 -6.529 172 HA3 GLY 24 1HA GLY 24 -10.398 -0.282 -6.866 173 H GLY 25 H GLY 25 -9.806 -1.997 -4.017 174 HA2 GLY 25 2HA GLY 25 -10.844 -0.010 -2.278 175 HA3 GLY 25 1HA GLY 25 -10.069 -1.508 -1.779 176 H TYR 26 H TYR 26 -9.815 1.303 -0.736 177 HA TYR 26 HA TYR 26 -6.907 1.646 -1.111 178 HB2 TYR 26 2HB TYR 26 -7.970 3.286 -2.530 179 HB3 TYR 26 1HB TYR 26 -9.023 3.809 -1.219 180 HD1 TYR 26 HD2 TYR 26 -5.453 3.685 -2.280 181 HD2 TYR 26 HD1 TYR 26 -8.355 5.554 0.214 182 HE1 TYR 26 HE2 TYR 26 -3.811 5.408 -1.663 183 HE2 TYR 26 HE1 TYR 26 -6.716 7.273 0.838 184 HH TYR 26 HH TYR 26 -4.356 7.626 0.902 185 H LEU 27 H LEU 27 -5.807 1.706 0.713 186 HA LEU 27 HA LEU 27 -7.045 2.788 3.169 187 HB2 LEU 27 2HB LEU 27 -5.339 0.299 2.948 188 HB3 LEU 27 1HB LEU 27 -5.837 1.035 4.460 189 HG LEU 27 HG LEU 27 -7.721 -0.148 2.407 190 HD11 LEU 27 1HD1 LEU 27 -6.411 -1.890 3.469 191 HD12 LEU 27 2HD1 LEU 27 -8.065 -1.926 4.078 192 HD13 LEU 27 3HD1 LEU 27 -6.776 -1.232 5.063 193 HD21 LEU 27 3HD2 LEU 27 -8.750 1.664 3.661 194 HD22 LEU 27 1HD2 LEU 27 -8.226 0.935 5.182 195 HD23 LEU 27 2HD2 LEU 27 -9.413 0.113 4.169 196 H CYS 28 H CYS 28 -5.645 3.933 4.555 197 HA CYS 28 HA CYS 28 -2.869 4.318 3.595 198 HB2 CYS 28 2HB CYS 28 -4.716 6.325 4.907 199 HB3 CYS 28 1HB CYS 28 -2.985 6.589 4.701 200 H LEU 29 H LEU 29 -1.676 3.028 4.875 201 HA LEU 29 HA LEU 29 -2.162 2.980 7.772 202 HB2 LEU 29 2HB LEU 29 -0.302 1.311 6.058 203 HB3 LEU 29 1HB LEU 29 -0.543 1.105 7.784 204 HG LEU 29 HG LEU 29 -2.613 0.656 5.621 205 HD11 LEU 29 1HD1 LEU 29 -2.499 -1.689 6.346 206 HD12 LEU 29 2HD1 LEU 29 -1.199 -1.275 7.464 207 HD13 LEU 29 3HD1 LEU 29 -0.952 -1.112 5.725 208 HD21 LEU 29 3HD2 LEU 29 -2.874 0.354 8.618 209 HD22 LEU 29 1HD2 LEU 29 -4.078 -0.127 7.422 210 HD23 LEU 29 2HD2 LEU 29 -3.666 1.574 7.622 211 HA PRO 30 HA PRO 30 1.130 5.734 8.827 212 HB2 PRO 30 2HB PRO 30 2.327 4.437 10.950 213 HB3 PRO 30 1HB PRO 30 0.825 5.362 11.062 214 HG2 PRO 30 2HG PRO 30 1.208 2.403 10.768 215 HG3 PRO 30 1HG PRO 30 0.085 3.287 11.820 216 HD2 PRO 30 2HD PRO 30 -0.749 2.166 9.534 217 HD3 PRO 30 1HD PRO 30 -1.396 3.730 10.072 218 H ARG 31 H ARG 31 3.168 6.128 8.081 219 HA ARG 31 HA ARG 31 4.537 4.044 6.659 220 HB2 ARG 31 2HB ARG 31 4.356 6.438 5.907 221 HB3 ARG 31 1HB ARG 31 5.484 6.871 7.183 222 HG2 ARG 31 2HG ARG 31 7.192 5.440 6.163 223 HG3 ARG 31 1HG ARG 31 6.061 5.003 4.883 224 HD2 ARG 31 2HD ARG 31 5.928 7.423 4.268 225 HD3 ARG 31 1HD ARG 31 7.196 7.742 5.454 226 HE ARG 31 HE ARG 31 7.697 5.822 3.298 227 HH11 ARG 31 1HH1 ARG 31 8.389 8.873 4.760 228 HH12 ARG 31 2HH1 ARG 31 9.829 9.098 3.828 229 HH21 ARG 31 1HH2 ARG 31 9.535 6.129 2.142 230 HH22 ARG 31 2HH2 ARG 31 10.478 7.558 2.377 231 H SER 32 H SER 32 4.431 4.405 9.820 232 HA SER 32 HA SER 32 7.154 4.439 10.655 233 HB2 SER 32 2HB SER 32 5.243 4.923 12.181 234 HB3 SER 32 1HB SER 32 4.770 3.226 12.087 235 HG SER 32 HG SER 32 6.668 2.653 13.112 236 H ALA 33 H ALA 33 5.371 2.123 8.996 237 HA ALA 33 HA ALA 33 6.783 -0.213 9.991 238 HB1 ALA 33 3HB ALA 33 5.488 -1.442 8.307 239 HB2 ALA 33 1HB ALA 33 4.866 0.082 7.671 240 HB3 ALA 33 2HB ALA 33 4.448 -0.427 9.307 241 H ALA 34 H ALA 34 8.101 -1.571 8.580 242 HA ALA 34 HA ALA 34 9.928 0.042 7.000 243 HB1 ALA 34 3HB ALA 34 10.027 -2.888 7.736 244 HB2 ALA 34 1HB ALA 34 10.823 -1.573 8.599 245 HB3 ALA 34 2HB ALA 34 11.324 -1.980 6.957 246 H VAL 35 H VAL 35 9.604 0.368 4.901 247 HA VAL 35 HA VAL 35 7.817 -1.323 3.360 248 HB VAL 35 HB VAL 35 8.095 0.319 1.556 249 HG11 VAL 35 1HG1 VAL 35 7.106 2.252 2.703 250 HG12 VAL 35 2HG1 VAL 35 7.605 1.584 4.258 251 HG13 VAL 35 3HG1 VAL 35 6.416 0.732 3.271 252 HG21 VAL 35 3HG2 VAL 35 10.055 1.676 3.422 253 HG22 VAL 35 1HG2 VAL 35 9.451 2.343 1.904 254 HG23 VAL 35 2HG2 VAL 35 10.447 0.889 1.893 255 H ILE 36 H ILE 36 11.116 -1.281 3.970 256 HA ILE 36 HA ILE 36 12.173 -2.113 1.485 257 HB ILE 36 HB ILE 36 14.049 -3.122 2.935 258 HG12 ILE 36 2HG1 ILE 36 14.135 -2.110 5.259 259 HG13 ILE 36 1HG1 ILE 36 12.437 -1.703 5.081 260 HG21 ILE 36 1HG2 ILE 36 14.991 -0.901 3.359 261 HG22 ILE 36 2HG2 ILE 36 13.399 -0.179 3.128 262 HG23 ILE 36 3HG2 ILE 36 14.206 -0.985 1.782 263 HD11 ILE 36 3HD1 ILE 36 11.864 -4.050 4.940 264 HD12 ILE 36 1HD1 ILE 36 12.789 -3.721 6.404 265 HD13 ILE 36 2HD1 ILE 36 13.570 -4.490 5.023 266 H ASN 37 H ASN 37 13.294 -4.371 1.267 267 HA ASN 37 HA ASN 37 11.038 -6.145 1.012 268 HB2 ASN 37 2HB ASN 37 13.927 -6.489 0.177 269 HB3 ASN 37 1HB ASN 37 12.612 -7.573 -0.267 270 HD21 ASN 37 1HD2 ASN 37 11.035 -6.843 -1.722 271 HD22 ASN 37 2HD2 ASN 37 11.302 -5.470 -2.734 272 H ASP 38 H ASP 38 11.295 -6.028 3.669 273 HA ASP 38 HA ASP 38 12.467 -8.643 4.375 274 HB2 ASP 38 2HB ASP 38 13.463 -6.765 5.630 275 HB3 ASP 38 1HB ASP 38 11.866 -6.310 6.216 276 H LEU 39 H LEU 39 10.857 -10.076 4.141 277 HA LEU 39 HA LEU 39 8.253 -9.441 5.351 278 HB2 LEU 39 2HB LEU 39 7.400 -11.348 3.805 279 HB3 LEU 39 1HB LEU 39 7.633 -9.738 3.170 280 HG LEU 39 HG LEU 39 8.322 -11.587 1.643 281 HD11 LEU 39 1HD1 LEU 39 10.499 -9.651 2.418 282 HD12 LEU 39 2HD1 LEU 39 9.181 -9.367 1.284 283 HD13 LEU 39 3HD1 LEU 39 10.421 -10.561 0.910 284 HD21 LEU 39 3HD2 LEU 39 10.440 -12.746 2.016 285 HD22 LEU 39 1HD2 LEU 39 9.253 -13.142 3.258 286 HD23 LEU 39 2HD2 LEU 39 10.564 -12.019 3.618 287 H HIS 40 H HIS 40 7.194 -10.986 6.603 288 HA HIS 40 HA HIS 40 9.023 -12.710 8.044 289 HB2 HIS 40 2HB HIS 40 6.066 -12.193 8.493 290 HB3 HIS 40 1HB HIS 40 7.149 -13.020 9.613 291 HD1 HIS 40 HD1 HIS 40 8.201 -11.557 11.346 292 HD2 HIS 40 HD2 HIS 40 6.921 -9.384 8.045 293 HE1 HIS 40 HE1 HIS 40 8.618 -9.151 11.921 294 HE2 HIS 40 HE2 HIS 40 8.079 -7.900 9.810 295 H GLY 41 H GLY 41 9.263 -13.956 5.927 296 HA2 GLY 41 2HA GLY 41 7.091 -15.611 5.043 297 HA3 GLY 41 1HA GLY 41 8.753 -15.685 4.487 298 H GLU 42 H GLU 42 6.862 -17.830 5.143 299 HA GLU 42 HA GLU 42 8.305 -19.169 7.346 300 HB2 GLU 42 2HB GLU 42 5.922 -18.901 7.785 301 HB3 GLU 42 1HB GLU 42 5.525 -19.651 6.247 302 HG2 GLU 42 2HG GLU 42 6.577 -21.755 7.059 303 HG3 GLU 42 1HG GLU 42 6.809 -20.985 8.627 304 H GLY 43 H GLY 43 9.133 -21.222 7.046 305 HA2 GLY 43 2HA GLY 43 9.666 -23.207 5.972 306 HA3 GLY 43 1HA GLY 43 8.594 -22.752 4.659 307 HA PRO 44 HA PRO 44 12.829 -22.270 2.910 308 HB2 PRO 44 2HB PRO 44 12.469 -23.689 0.674 309 HB3 PRO 44 1HB PRO 44 12.694 -24.502 2.229 310 HG2 PRO 44 2HG PRO 44 10.153 -23.956 0.728 311 HG3 PRO 44 1HG PRO 44 10.664 -25.444 1.544 312 HD2 PRO 44 2HD PRO 44 8.964 -23.583 2.654 313 HD3 PRO 44 1HD PRO 44 9.973 -24.698 3.597 314 HA PRO 45 HA PRO 45 11.633 -19.158 -0.132 315 HB2 PRO 45 2HB PRO 45 13.918 -18.793 -1.480 316 HB3 PRO 45 1HB PRO 45 13.777 -18.361 0.228 317 HG2 PRO 45 2HG PRO 45 15.065 -20.757 -1.020 318 HG3 PRO 45 1HG PRO 45 15.594 -19.793 0.370 319 HD2 PRO 45 2HD PRO 45 14.235 -22.221 0.511 320 HD3 PRO 45 1HD PRO 45 14.359 -21.037 1.827 321 HA PRO 46 HA PRO 46 10.688 -21.855 -3.716 322 HB2 PRO 46 2HB PRO 46 8.284 -20.809 -4.279 323 HB3 PRO 46 1HB PRO 46 8.507 -21.884 -2.895 324 HG2 PRO 46 2HG PRO 46 8.342 -18.891 -2.957 325 HG3 PRO 46 1HG PRO 46 7.576 -20.030 -1.833 326 HD2 PRO 46 2HD PRO 46 9.895 -18.654 -1.283 327 HD3 PRO 46 1HD PRO 46 9.459 -20.206 -0.538 328 HA PRO 47 HA PRO 47 11.802 -19.103 -7.043 329 HB2 PRO 47 2HB PRO 47 10.192 -19.840 -9.136 330 HB3 PRO 47 1HB PRO 47 11.589 -20.775 -8.592 331 HG2 PRO 47 2HG PRO 47 8.686 -21.203 -8.014 332 HG3 PRO 47 1HG PRO 47 9.947 -22.398 -8.368 333 HD2 PRO 47 2HD PRO 47 9.054 -21.893 -5.850 334 HD3 PRO 47 1HD PRO 47 10.715 -22.414 -6.196 335 H VAL 48 H VAL 48 10.842 -17.344 -5.700 336 HA VAL 48 HA VAL 48 8.581 -16.049 -7.098 337 HB VAL 48 HB VAL 48 8.013 -14.919 -4.956 338 HG11 VAL 48 1HG1 VAL 48 6.957 -16.852 -3.876 339 HG12 VAL 48 2HG1 VAL 48 7.974 -17.938 -4.824 340 HG13 VAL 48 3HG1 VAL 48 6.785 -16.916 -5.631 341 HG21 VAL 48 3HG2 VAL 48 10.044 -16.813 -3.752 342 HG22 VAL 48 1HG2 VAL 48 8.935 -15.783 -2.845 343 HG23 VAL 48 2HG2 VAL 48 10.188 -15.057 -3.852 344 HA PRO 49 HA PRO 49 11.146 -12.615 -8.143 345 HB2 PRO 49 2HB PRO 49 8.988 -10.877 -7.022 346 HB3 PRO 49 1HB PRO 49 9.762 -10.830 -8.611 347 HG2 PRO 49 2HG PRO 49 7.312 -11.824 -8.333 348 HG3 PRO 49 1HG PRO 49 8.475 -12.590 -9.434 349 HD2 PRO 49 2HD PRO 49 7.578 -13.455 -6.714 350 HD3 PRO 49 1HD PRO 49 7.967 -14.441 -8.139 351 HA PRO 50 HA PRO 50 13.096 -11.559 -4.193 352 HB2 PRO 50 2HB PRO 50 15.183 -10.137 -5.224 353 HB3 PRO 50 1HB PRO 50 15.130 -11.905 -5.222 354 HG2 PRO 50 2HG PRO 50 14.469 -9.993 -7.438 355 HG3 PRO 50 1HG PRO 50 15.414 -11.494 -7.501 356 HD2 PRO 50 2HD PRO 50 12.831 -11.387 -8.293 357 HD3 PRO 50 1HD PRO 50 13.522 -12.833 -7.527 358 H ALA 51 H ALA 51 11.542 -9.531 -6.388 359 HA ALA 51 HA ALA 51 12.087 -7.035 -5.004 360 HB1 ALA 51 3HB ALA 51 10.177 -7.604 -7.273 361 HB2 ALA 51 1HB ALA 51 11.849 -7.068 -7.447 362 HB3 ALA 51 2HB ALA 51 10.661 -6.014 -6.684 363 H GLN 52 H GLN 52 10.084 -9.621 -4.374 364 HA GLN 52 HA GLN 52 7.573 -8.597 -3.841 365 HB2 GLN 52 2HB GLN 52 9.125 -10.752 -2.410 366 HB3 GLN 52 1HB GLN 52 7.453 -10.376 -2.021 367 HG2 GLN 52 2HG GLN 52 8.478 -11.311 -4.697 368 HG3 GLN 52 1HG GLN 52 7.612 -12.289 -3.516 369 HE21 GLN 52 1HE2 GLN 52 5.401 -11.918 -3.199 370 HE22 GLN 52 2HE2 GLN 52 4.448 -11.051 -4.348 371 H HIS 53 H HIS 53 6.585 -7.529 -2.201 372 HA HIS 53 HA HIS 53 8.334 -5.952 -0.476 373 HB2 HIS 53 2HB HIS 53 5.393 -5.745 -1.165 374 HB3 HIS 53 1HB HIS 53 6.206 -4.661 -0.040 375 HD1 HIS 53 HD1 HIS 53 6.576 -5.754 -3.674 376 HD2 HIS 53 HD2 HIS 53 7.202 -2.446 -1.239 377 HE1 HIS 53 HE1 HIS 53 7.309 -3.917 -5.208 378 HE2 HIS 53 HE2 HIS 53 7.419 -1.874 -3.753 379 HA PRO 54 HA PRO 54 7.520 -7.874 3.447 380 HB2 PRO 54 2HB PRO 54 6.578 -5.708 4.934 381 HB3 PRO 54 1HB PRO 54 8.277 -6.118 4.681 382 HG2 PRO 54 2HG PRO 54 6.571 -4.130 3.231 383 HG3 PRO 54 1HG PRO 54 8.262 -3.989 3.752 384 HD2 PRO 54 2HD PRO 54 7.662 -4.487 1.205 385 HD3 PRO 54 1HD PRO 54 9.043 -5.295 1.979 386 H ASN 55 H ASN 55 4.981 -6.082 1.893 387 HA ASN 55 HA ASN 55 2.732 -5.935 2.116 388 HB2 ASN 55 2HB ASN 55 3.257 -8.838 2.692 389 HB3 ASN 55 1HB ASN 55 1.619 -8.205 2.783 390 HD21 ASN 55 1HD2 ASN 55 0.598 -7.519 0.902 391 HD22 ASN 55 2HD2 ASN 55 1.194 -7.928 -0.665 392 HA PRO 56 HA PRO 56 2.847 -5.297 6.773 393 HB2 PRO 56 2HB PRO 56 2.643 -2.577 6.649 394 HB3 PRO 56 1HB PRO 56 4.194 -3.426 6.703 395 HG2 PRO 56 2HG PRO 56 2.729 -2.305 4.340 396 HG3 PRO 56 1HG PRO 56 4.458 -2.219 4.728 397 HD2 PRO 56 2HD PRO 56 3.467 -3.983 2.936 398 HD3 PRO 56 1HD PRO 56 4.867 -4.361 3.960 399 H CYS 57 H CYS 57 0.986 -4.437 4.004 400 HA CYS 57 HA CYS 57 -1.394 -3.656 5.486 401 HB2 CYS 57 2HB CYS 57 -1.288 -4.261 2.529 402 HB3 CYS 57 1HB CYS 57 -2.364 -3.162 3.383 403 HA PRO 58 HA PRO 58 -3.024 -7.691 6.322 404 HB2 PRO 58 2HB PRO 58 -5.536 -6.494 5.190 405 HB3 PRO 58 1HB PRO 58 -5.311 -7.457 6.658 406 HG2 PRO 58 2HG PRO 58 -5.541 -4.815 6.825 407 HG3 PRO 58 1HG PRO 58 -4.371 -5.681 7.839 408 HD2 PRO 58 2HD PRO 58 -3.903 -3.973 5.444 409 HD3 PRO 58 1HD PRO 58 -2.865 -4.245 6.858 410 HA PRO 59 HA PRO 59 -2.550 -10.081 2.576 411 HB2 PRO 59 2HB PRO 59 -4.567 -11.798 3.992 412 HB3 PRO 59 1HB PRO 59 -3.072 -12.270 3.175 413 HG2 PRO 59 2HG PRO 59 -3.152 -12.105 5.822 414 HG3 PRO 59 1HG PRO 59 -1.725 -11.533 4.932 415 HD2 PRO 59 2HD PRO 59 -3.887 -9.968 6.266 416 HD3 PRO 59 1HD PRO 59 -2.172 -9.566 6.045 417 H GLY 60 H GLY 60 -3.555 -10.109 0.628 418 HA2 GLY 60 2HA GLY 60 -5.501 -10.072 -0.800 419 HA3 GLY 60 1HA GLY 60 -6.415 -9.356 0.521 420 H TYR 61 H TYR 61 -4.505 -7.398 1.289 421 HA TYR 61 HA TYR 61 -4.636 -5.539 -0.982 422 HB2 TYR 61 2HB TYR 61 -4.195 -5.088 1.979 423 HB3 TYR 61 1HB TYR 61 -4.033 -3.810 0.778 424 HD1 TYR 61 HD2 TYR 61 -6.418 -6.069 2.461 425 HD2 TYR 61 HD1 TYR 61 -5.974 -2.833 -0.269 426 HE1 TYR 61 HE2 TYR 61 -8.841 -5.655 2.561 427 HE2 TYR 61 HE1 TYR 61 -8.390 -2.410 -0.174 428 HH TYR 61 HH TYR 61 -10.394 -3.681 2.166 429 H GLU 62 H GLU 62 -2.777 -4.090 -1.345 430 HA GLU 62 HA GLU 62 -0.172 -5.316 -0.762 431 HB2 GLU 62 2HB GLU 62 0.431 -5.153 -3.176 432 HB3 GLU 62 1HB GLU 62 -0.857 -6.311 -2.859 433 HG2 GLU 62 2HG GLU 62 -2.494 -4.509 -3.503 434 HG3 GLU 62 1HG GLU 62 -1.116 -3.550 -4.035 435 HA PRO 63 HA PRO 63 1.112 -1.019 -0.526 436 HB2 PRO 63 2HB PRO 63 3.878 -1.851 -0.939 437 HB3 PRO 63 1HB PRO 63 3.106 -1.265 0.536 438 HG2 PRO 63 2HG PRO 63 3.943 -3.839 0.219 439 HG3 PRO 63 1HG PRO 63 2.587 -3.379 1.264 440 HD2 PRO 63 2HD PRO 63 2.539 -4.523 -1.511 441 HD3 PRO 63 1HD PRO 63 1.514 -4.914 -0.112 442 H ASP 64 H ASP 64 1.092 0.501 -2.094 443 HA ASP 64 HA ASP 64 1.829 -0.321 -4.825 444 HB2 ASP 64 2HB ASP 64 -0.443 0.552 -4.460 445 HB3 ASP 64 1HB ASP 64 0.228 2.069 -3.869 446 H ASP 65 H ASP 65 3.733 0.275 -5.636 447 HA ASP 65 HA ASP 65 5.320 2.372 -4.430 448 HB2 ASP 65 2HB ASP 65 5.893 0.698 -6.892 449 HB3 ASP 65 1HB ASP 65 7.055 1.684 -6.010 450 H GLN 66 H GLN 66 4.896 4.453 -4.933 451 HA GLN 66 HA GLN 66 4.181 5.118 -7.715 452 HB2 GLN 66 2HB GLN 66 3.264 7.250 -6.782 453 HB3 GLN 66 1HB GLN 66 2.431 5.806 -6.226 454 HG2 GLN 66 2HG GLN 66 3.526 5.923 -4.088 455 HG3 GLN 66 1HG GLN 66 4.549 7.250 -4.635 456 HE21 GLN 66 1HE2 GLN 66 2.416 8.616 -6.043 457 HE22 GLN 66 2HE2 GLN 66 1.399 9.305 -4.833 458 H ASP 67 H ASP 67 5.807 5.882 -8.881 459 HA ASP 67 HA ASP 67 8.145 7.093 -7.718 460 HB2 ASP 67 2HB ASP 67 7.283 6.716 -10.599 461 HB3 ASP 67 1HB ASP 67 8.862 7.313 -10.099 462 H SER 68 H SER 68 6.647 8.792 -6.690 463 HA SER 68 HA SER 68 5.409 10.770 -8.327 464 HB2 SER 68 2HB SER 68 6.113 10.831 -5.379 465 HB3 SER 68 1HB SER 68 5.105 12.027 -6.196 466 HG SER 68 HG SER 68 4.035 10.173 -5.077 467 H CYS 69 H CYS 69 6.725 11.879 -9.697 468 HA CYS 69 HA CYS 69 9.267 12.929 -9.178 469 HB2 CYS 69 2HB CYS 69 7.155 14.178 -10.954 470 HB3 CYS 69 1HB CYS 69 8.890 14.446 -11.050 471 H VAL 70 H VAL 70 6.070 14.328 -8.570 472 HA VAL 70 HA VAL 70 7.021 16.863 -7.689 473 HB VAL 70 HB VAL 70 4.760 16.693 -8.499 474 HG11 VAL 70 1HG1 VAL 70 4.167 14.849 -6.177 475 HG12 VAL 70 2HG1 VAL 70 4.303 14.359 -7.865 476 HG13 VAL 70 3HG1 VAL 70 3.003 15.440 -7.362 477 HG21 VAL 70 3HG2 VAL 70 5.179 18.410 -6.813 478 HG22 VAL 70 1HG2 VAL 70 4.752 17.274 -5.533 479 HG23 VAL 70 2HG2 VAL 70 3.530 17.801 -6.689 480 H ASP 71 H ASP 71 8.399 16.940 -6.040 481 HA ASP 71 HA ASP 71 8.069 15.206 -3.711 482 HB2 ASP 71 2HB ASP 71 10.295 15.425 -4.739 483 HB3 ASP 71 1HB ASP 71 10.280 17.157 -4.420 Start of MODEL 17 1 H1 SER 1 1H SER 1 5.879 -0.370 -13.694 2 H2 SER 1 2H SER 1 6.309 1.187 -13.190 3 H3 SER 1 3H SER 1 5.665 0.946 -14.732 4 HA SER 1 HA SER 1 4.220 0.442 -12.189 5 HB2 SER 1 2HB SER 1 2.897 2.467 -12.780 6 HB3 SER 1 1HB SER 1 4.596 2.844 -12.500 7 HG SER 1 HG SER 1 3.937 3.880 -14.366 8 H ASP 2 H ASP 2 1.700 0.871 -12.956 9 HA ASP 2 HA ASP 2 1.128 -1.365 -14.701 10 HB2 ASP 2 2HB ASP 2 -1.236 -0.886 -14.066 11 HB3 ASP 2 1HB ASP 2 -0.176 -1.069 -12.671 12 H VAL 3 H VAL 3 2.394 0.390 -16.301 13 HA VAL 3 HA VAL 3 2.335 1.720 -18.134 14 HB VAL 3 HB VAL 3 -0.512 0.741 -18.462 15 HG11 VAL 3 1HG1 VAL 3 -0.142 1.165 -20.858 16 HG12 VAL 3 2HG1 VAL 3 1.456 1.815 -20.495 17 HG13 VAL 3 3HG1 VAL 3 0.015 2.641 -19.905 18 HG21 VAL 3 3HG2 VAL 3 0.424 -1.038 -19.863 19 HG22 VAL 3 1HG2 VAL 3 1.019 -1.146 -18.206 20 HG23 VAL 3 2HG2 VAL 3 2.056 -0.493 -19.474 21 H ASN 4 H ASN 4 2.475 3.521 -16.626 22 HA ASN 4 HA ASN 4 0.669 5.616 -17.220 23 HB2 ASN 4 2HB ASN 4 -0.706 4.273 -15.569 24 HB3 ASN 4 1HB ASN 4 0.503 4.656 -14.348 25 HD21 ASN 4 1HD2 ASN 4 -1.959 5.955 -16.436 26 HD22 ASN 4 2HD2 ASN 4 -2.176 7.440 -15.582 27 H GLU 5 H GLU 5 1.604 7.602 -16.747 28 HA GLU 5 HA GLU 5 4.331 7.486 -15.676 29 HB2 GLU 5 2HB GLU 5 2.962 9.800 -17.052 30 HB3 GLU 5 1HB GLU 5 4.684 9.607 -16.762 31 HG2 GLU 5 2HG GLU 5 4.750 7.734 -18.322 32 HG3 GLU 5 1HG GLU 5 3.012 7.883 -18.589 33 H CYS 6 H CYS 6 4.771 10.060 -14.850 34 HA CYS 6 HA CYS 6 3.505 10.033 -12.247 35 HB2 CYS 6 2HB CYS 6 5.579 11.905 -13.402 36 HB3 CYS 6 1HB CYS 6 5.057 11.887 -11.721 37 H LEU 7 H LEU 7 2.325 11.225 -15.033 38 HA LEU 7 HA LEU 7 1.557 13.876 -14.271 39 HB2 LEU 7 2HB LEU 7 0.320 13.984 -16.255 40 HB3 LEU 7 1HB LEU 7 1.686 12.960 -16.643 41 HG LEU 7 HG LEU 7 -1.105 11.954 -16.029 42 HD11 LEU 7 1HD1 LEU 7 -1.055 13.209 -18.117 43 HD12 LEU 7 2HD1 LEU 7 -1.262 11.485 -18.423 44 HD13 LEU 7 3HD1 LEU 7 0.309 12.244 -18.681 45 HD21 LEU 7 3HD2 LEU 7 -0.311 9.807 -16.845 46 HD22 LEU 7 1HD2 LEU 7 0.667 10.334 -15.475 47 HD23 LEU 7 2HD2 LEU 7 1.297 10.478 -17.117 48 H THR 8 H THR 8 0.589 10.966 -13.068 49 HA THR 8 HA THR 8 -2.226 11.304 -12.807 50 HB THR 8 HB THR 8 -1.206 9.089 -12.658 51 HG1 THR 8 HG1 THR 8 -2.720 8.477 -11.308 52 HG21 THR 8 3HG2 THR 8 0.099 8.394 -10.716 53 HG22 THR 8 1HG2 THR 8 0.009 10.026 -10.049 54 HG23 THR 8 2HG2 THR 8 0.897 9.730 -11.544 55 H ILE 9 H ILE 9 -3.014 10.997 -10.308 56 HA ILE 9 HA ILE 9 -2.307 13.532 -9.014 57 HB ILE 9 HB ILE 9 -4.609 11.638 -8.470 58 HG12 ILE 9 2HG1 ILE 9 -4.804 12.647 -10.681 59 HG13 ILE 9 1HG1 ILE 9 -5.997 13.356 -9.600 60 HG21 ILE 9 1HG2 ILE 9 -5.574 13.497 -7.172 61 HG22 ILE 9 2HG2 ILE 9 -4.091 14.421 -7.418 62 HG23 ILE 9 3HG2 ILE 9 -4.053 12.923 -6.488 63 HD11 ILE 9 3HD1 ILE 9 -3.394 14.610 -10.449 64 HD12 ILE 9 1HD1 ILE 9 -4.552 15.320 -9.324 65 HD13 ILE 9 2HD1 ILE 9 -5.008 15.050 -11.005 66 HA PRO 10 HA PRO 10 -0.016 11.419 -5.721 67 HB2 PRO 10 2HB PRO 10 -0.881 13.781 -4.117 68 HB3 PRO 10 1HB PRO 10 0.741 13.128 -4.375 69 HG2 PRO 10 2HG PRO 10 -0.031 15.372 -5.594 70 HG3 PRO 10 1HG PRO 10 0.979 14.178 -6.436 71 HD2 PRO 10 2HD PRO 10 -1.967 14.692 -6.699 72 HD3 PRO 10 1HD PRO 10 -0.769 14.322 -7.959 73 H GLU 11 H GLU 11 -1.858 9.842 -5.755 74 HA GLU 11 HA GLU 11 -4.062 10.246 -3.940 75 HB2 GLU 11 2HB GLU 11 -3.171 7.726 -5.365 76 HB3 GLU 11 1HB GLU 11 -4.713 7.962 -4.553 77 HG2 GLU 11 2HG GLU 11 -5.288 9.718 -6.162 78 HG3 GLU 11 1HG GLU 11 -3.742 9.473 -6.974 79 H ALA 12 H ALA 12 -0.856 9.254 -3.501 80 HA ALA 12 HA ALA 12 -1.432 7.358 -1.360 81 HB1 ALA 12 3HB ALA 12 1.228 8.325 -2.415 82 HB2 ALA 12 1HB ALA 12 0.378 6.871 -2.939 83 HB3 ALA 12 2HB ALA 12 0.975 6.994 -1.284 84 H CYS 13 H CYS 13 -0.328 7.566 0.742 85 HA CYS 13 HA CYS 13 -0.346 10.339 1.728 86 HB2 CYS 13 2HB CYS 13 -0.370 7.716 3.259 87 HB3 CYS 13 1HB CYS 13 -0.482 9.320 3.979 88 H LYS 14 H LYS 14 1.490 11.287 2.593 89 HA LYS 14 HA LYS 14 4.000 10.089 1.862 90 HB2 LYS 14 2HB LYS 14 3.646 12.498 1.598 91 HB3 LYS 14 1HB LYS 14 3.426 12.673 3.334 92 HG2 LYS 14 2HG LYS 14 5.727 12.028 3.735 93 HG3 LYS 14 1HG LYS 14 5.965 11.710 2.016 94 HD2 LYS 14 2HD LYS 14 5.574 14.085 1.524 95 HD3 LYS 14 1HD LYS 14 5.329 14.403 3.243 96 HE2 LYS 14 2HE LYS 14 7.619 13.706 3.711 97 HE3 LYS 14 1HE LYS 14 7.869 13.334 2.006 98 HZ1 LYS 14 3HZ LYS 14 7.312 16.018 3.147 99 HZ2 LYS 14 1HZ LYS 14 7.474 15.678 1.497 100 HZ3 LYS 14 2HZ LYS 14 8.791 15.476 2.537 101 H GLY 15 H GLY 15 5.483 9.087 3.116 102 HA2 GLY 15 2HA GLY 15 6.543 8.279 5.012 103 HA3 GLY 15 1HA GLY 15 5.525 9.324 5.990 104 H GLU 16 H GLU 16 3.421 7.723 4.103 105 HA GLU 16 HA GLU 16 3.159 5.391 5.889 106 HB2 GLU 16 2HB GLU 16 0.929 7.223 4.959 107 HB3 GLU 16 1HB GLU 16 0.693 5.717 5.836 108 HG2 GLU 16 2HG GLU 16 1.856 6.618 7.763 109 HG3 GLU 16 1HG GLU 16 2.199 8.108 6.886 110 H MET 17 H MET 17 1.761 3.664 4.941 111 HA MET 17 HA MET 17 2.506 3.332 2.132 112 HB2 MET 17 2HB MET 17 1.291 1.329 4.043 113 HB3 MET 17 1HB MET 17 1.973 0.977 2.464 114 HG2 MET 17 2HG MET 17 4.181 1.688 3.272 115 HG3 MET 17 1HG MET 17 3.483 1.990 4.866 116 HE1 MET 17 3HE MET 17 1.309 -0.640 4.528 117 HE2 MET 17 1HE MET 17 1.964 -0.005 6.041 118 HE3 MET 17 2HE MET 17 2.163 -1.712 5.640 119 H LYS 18 H LYS 18 1.101 3.236 0.469 120 HA LYS 18 HA LYS 18 -1.735 3.706 0.981 121 HB2 LYS 18 2HB LYS 18 -0.652 5.115 -0.687 122 HB3 LYS 18 1HB LYS 18 -0.132 3.698 -1.591 123 HG2 LYS 18 2HG LYS 18 -2.521 3.138 -1.999 124 HG3 LYS 18 1HG LYS 18 -2.973 4.647 -1.201 125 HD2 LYS 18 2HD LYS 18 -1.956 5.959 -2.893 126 HD3 LYS 18 1HD LYS 18 -1.094 4.573 -3.558 127 HE2 LYS 18 2HE LYS 18 -3.439 3.612 -4.043 128 HE3 LYS 18 1HE LYS 18 -4.017 5.258 -3.779 129 HZ1 LYS 18 3HZ LYS 18 -2.690 6.038 -5.572 130 HZ2 LYS 18 1HZ LYS 18 -3.523 4.683 -6.136 131 HZ3 LYS 18 2HZ LYS 18 -1.886 4.554 -5.727 132 H CYS 19 H CYS 19 -2.876 1.927 1.397 133 HA CYS 19 HA CYS 19 -2.382 -0.546 -0.138 134 HB2 CYS 19 2HB CYS 19 -3.950 -0.162 2.428 135 HB3 CYS 19 1HB CYS 19 -3.649 -1.701 1.629 136 H ILE 20 H ILE 20 -3.657 -0.730 -1.867 137 HA ILE 20 HA ILE 20 -6.500 0.025 -1.641 138 HB ILE 20 HB ILE 20 -6.497 0.878 -3.944 139 HG12 ILE 20 2HG1 ILE 20 -3.476 0.608 -3.836 140 HG13 ILE 20 1HG1 ILE 20 -4.536 -0.469 -4.737 141 HG21 ILE 20 1HG2 ILE 20 -6.231 2.485 -2.150 142 HG22 ILE 20 2HG2 ILE 20 -5.276 2.986 -3.543 143 HG23 ILE 20 3HG2 ILE 20 -4.485 2.244 -2.155 144 HD11 ILE 20 3HD1 ILE 20 -5.240 1.390 -6.140 145 HD12 ILE 20 1HD1 ILE 20 -3.490 1.184 -6.175 146 HD13 ILE 20 2HD1 ILE 20 -4.204 2.483 -5.222 147 H ASN 21 H ASN 21 -7.895 -1.036 -3.228 148 HA ASN 21 HA ASN 21 -6.679 -3.422 -4.479 149 HB2 ASN 21 2HB ASN 21 -8.823 -4.617 -4.130 150 HB3 ASN 21 1HB ASN 21 -8.023 -4.192 -2.625 151 HD21 ASN 21 1HD2 ASN 21 -9.835 -4.250 -1.393 152 HD22 ASN 21 2HD2 ASN 21 -11.121 -3.105 -1.533 153 H HIS 22 H HIS 22 -7.724 -4.144 -6.451 154 HA HIS 22 HA HIS 22 -8.236 -2.031 -8.234 155 HB2 HIS 22 2HB HIS 22 -8.446 -5.017 -8.433 156 HB3 HIS 22 1HB HIS 22 -9.039 -4.007 -9.749 157 HD1 HIS 22 HD1 HIS 22 -5.809 -4.726 -7.860 158 HD2 HIS 22 HD2 HIS 22 -7.116 -3.057 -11.441 159 HE1 HIS 22 HE1 HIS 22 -3.733 -4.270 -9.191 160 HE2 HIS 22 HE2 HIS 22 -4.539 -3.090 -11.262 161 H TYR 23 H TYR 23 -10.328 -3.384 -5.978 162 HA TYR 23 HA TYR 23 -12.776 -3.008 -7.440 163 HB2 TYR 23 2HB TYR 23 -12.192 -3.551 -4.527 164 HB3 TYR 23 1HB TYR 23 -13.827 -3.332 -5.148 165 HD1 TYR 23 HD1 TYR 23 -10.754 -5.274 -6.051 166 HD2 TYR 23 HD2 TYR 23 -14.994 -5.285 -5.620 167 HE1 TYR 23 HE1 TYR 23 -10.812 -7.633 -6.710 168 HE2 TYR 23 HE2 TYR 23 -15.057 -7.655 -6.272 169 HH TYR 23 HH TYR 23 -13.658 -9.229 -7.583 170 H GLY 24 H GLY 24 -10.678 -0.950 -5.598 171 HA2 GLY 24 2HA GLY 24 -10.945 1.438 -6.097 172 HA3 GLY 24 1HA GLY 24 -12.672 1.231 -5.881 173 H GLY 25 H GLY 25 -11.139 -0.545 -3.508 174 HA2 GLY 25 2HA GLY 25 -11.794 1.364 -1.450 175 HA3 GLY 25 1HA GLY 25 -11.085 -0.226 -1.214 176 H TYR 26 H TYR 26 -10.493 2.761 -0.391 177 HA TYR 26 HA TYR 26 -7.596 2.690 -0.995 178 HB2 TYR 26 2HB TYR 26 -8.514 4.578 -2.117 179 HB3 TYR 26 1HB TYR 26 -9.478 5.037 -0.717 180 HD1 TYR 26 HD2 TYR 26 -5.996 4.827 -2.002 181 HD2 TYR 26 HD1 TYR 26 -8.596 6.510 0.925 182 HE1 TYR 26 HE2 TYR 26 -4.198 6.334 -1.275 183 HE2 TYR 26 HE1 TYR 26 -6.804 8.028 1.652 184 HH TYR 26 HH TYR 26 -4.212 7.986 1.579 185 H LEU 27 H LEU 27 -6.255 2.498 0.672 186 HA LEU 27 HA LEU 27 -7.011 3.580 3.304 187 HB2 LEU 27 2HB LEU 27 -5.941 0.805 2.761 188 HB3 LEU 27 1HB LEU 27 -5.914 1.547 4.350 189 HG LEU 27 HG LEU 27 -8.427 0.980 2.764 190 HD11 LEU 27 1HD1 LEU 27 -7.307 -1.087 3.444 191 HD12 LEU 27 2HD1 LEU 27 -8.803 -0.840 4.342 192 HD13 LEU 27 3HD1 LEU 27 -7.252 -0.514 5.113 193 HD21 LEU 27 3HD2 LEU 27 -8.030 1.884 5.624 194 HD22 LEU 27 1HD2 LEU 27 -9.575 1.467 4.877 195 HD23 LEU 27 2HD2 LEU 27 -8.665 2.863 4.300 196 H CYS 28 H CYS 28 -5.297 4.405 4.525 197 HA CYS 28 HA CYS 28 -2.565 3.982 3.466 198 HB2 CYS 28 2HB CYS 28 -3.718 6.422 4.831 199 HB3 CYS 28 1HB CYS 28 -1.983 6.145 4.704 200 H LEU 29 H LEU 29 -1.389 2.690 4.722 201 HA LEU 29 HA LEU 29 -2.168 2.359 7.554 202 HB2 LEU 29 2HB LEU 29 -0.792 0.393 5.707 203 HB3 LEU 29 1HB LEU 29 -1.231 0.087 7.376 204 HG LEU 29 HG LEU 29 -3.122 0.517 5.058 205 HD11 LEU 29 1HD1 LEU 29 -2.581 -1.886 6.803 206 HD12 LEU 29 2HD1 LEU 29 -2.120 -1.693 5.112 207 HD13 LEU 29 3HD1 LEU 29 -3.824 -1.782 5.554 208 HD21 LEU 29 3HD2 LEU 29 -4.935 0.129 6.651 209 HD22 LEU 29 1HD2 LEU 29 -4.025 1.583 7.060 210 HD23 LEU 29 2HD2 LEU 29 -3.773 0.096 7.977 211 HA PRO 30 HA PRO 30 1.749 3.653 9.159 212 HB2 PRO 30 2HB PRO 30 2.416 1.502 10.809 213 HB3 PRO 30 1HB PRO 30 1.383 2.863 11.257 214 HG2 PRO 30 2HG PRO 30 0.618 0.132 10.307 215 HG3 PRO 30 1HG PRO 30 -0.135 1.133 11.563 216 HD2 PRO 30 2HD PRO 30 -1.241 0.900 9.140 217 HD3 PRO 30 1HD PRO 30 -1.262 2.452 10.004 218 H ARG 31 H ARG 31 3.872 3.559 8.630 219 HA ARG 31 HA ARG 31 4.604 1.692 6.532 220 HB2 ARG 31 2HB ARG 31 4.964 4.179 6.425 221 HB3 ARG 31 1HB ARG 31 6.183 4.007 7.678 222 HG2 ARG 31 2HG ARG 31 7.510 2.584 6.181 223 HG3 ARG 31 1HG ARG 31 6.288 2.783 4.921 224 HD2 ARG 31 2HD ARG 31 6.665 5.221 4.977 225 HD3 ARG 31 1HD ARG 31 7.928 4.985 6.185 226 HE ARG 31 HE ARG 31 8.136 3.750 3.525 227 HH11 ARG 31 1HH1 ARG 31 9.384 5.828 5.965 228 HH12 ARG 31 2HH1 ARG 31 10.898 6.049 5.160 229 HH21 ARG 31 1HH2 ARG 31 10.070 4.048 2.483 230 HH22 ARG 31 2HH2 ARG 31 11.288 5.039 3.210 231 H SER 32 H SER 32 4.619 1.154 9.643 232 HA SER 32 HA SER 32 7.172 0.638 10.577 233 HB2 SER 32 2HB SER 32 4.690 -1.013 11.127 234 HB3 SER 32 1HB SER 32 6.137 -0.945 12.134 235 HG SER 32 HG SER 32 4.380 0.432 12.838 236 H ALA 33 H ALA 33 5.432 -1.112 8.146 237 HA ALA 33 HA ALA 33 7.120 -3.475 8.333 238 HB1 ALA 33 3HB ALA 33 4.754 -3.719 7.747 239 HB2 ALA 33 1HB ALA 33 5.803 -4.329 6.469 240 HB3 ALA 33 2HB ALA 33 5.014 -2.762 6.289 241 H ALA 34 H ALA 34 8.791 -4.010 6.974 242 HA ALA 34 HA ALA 34 9.974 -1.827 5.465 243 HB1 ALA 34 3HB ALA 34 11.053 -4.594 6.012 244 HB2 ALA 34 1HB ALA 34 11.346 -3.164 7.005 245 HB3 ALA 34 2HB ALA 34 11.955 -3.228 5.352 246 H VAL 35 H VAL 35 10.729 -2.018 3.289 247 HA VAL 35 HA VAL 35 8.829 -3.299 1.539 248 HB VAL 35 HB VAL 35 10.134 -2.200 -0.284 249 HG11 VAL 35 1HG1 VAL 35 9.368 -0.421 2.037 250 HG12 VAL 35 2HG1 VAL 35 8.295 -1.002 0.764 251 HG13 VAL 35 3HG1 VAL 35 9.599 0.119 0.373 252 HG21 VAL 35 3HG2 VAL 35 11.845 -1.169 1.990 253 HG22 VAL 35 1HG2 VAL 35 11.945 -0.648 0.308 254 HG23 VAL 35 2HG2 VAL 35 12.358 -2.305 0.742 255 H ILE 36 H ILE 36 10.078 -5.351 2.832 256 HA ILE 36 HA ILE 36 12.098 -6.403 0.970 257 HB ILE 36 HB ILE 36 12.393 -8.178 2.826 258 HG12 ILE 36 2HG1 ILE 36 11.913 -7.215 5.132 259 HG13 ILE 36 1HG1 ILE 36 10.875 -6.035 4.347 260 HG21 ILE 36 1HG2 ILE 36 13.970 -6.730 4.028 261 HG22 ILE 36 2HG2 ILE 36 13.225 -5.315 3.284 262 HG23 ILE 36 3HG2 ILE 36 14.059 -6.502 2.281 263 HD11 ILE 36 3HD1 ILE 36 9.420 -7.806 3.565 264 HD12 ILE 36 1HD1 ILE 36 9.624 -7.897 5.315 265 HD13 ILE 36 2HD1 ILE 36 10.489 -9.021 4.265 266 H ASN 37 H ASN 37 11.987 -8.666 0.309 267 HA ASN 37 HA ASN 37 9.319 -9.288 -0.604 268 HB2 ASN 37 2HB ASN 37 11.980 -10.649 -1.081 269 HB3 ASN 37 1HB ASN 37 10.472 -11.132 -1.854 270 HD21 ASN 37 1HD2 ASN 37 12.960 -10.102 -3.015 271 HD22 ASN 37 2HD2 ASN 37 12.490 -8.714 -3.930 272 H ASP 38 H ASP 38 8.961 -9.571 1.952 273 HA ASP 38 HA ASP 38 8.320 -10.877 3.671 274 HB2 ASP 38 2HB ASP 38 6.728 -11.740 2.075 275 HB3 ASP 38 1HB ASP 38 7.910 -12.880 1.437 276 H LEU 39 H LEU 39 10.233 -10.971 4.824 277 HA LEU 39 HA LEU 39 11.132 -13.715 5.163 278 HB2 LEU 39 2HB LEU 39 13.537 -12.919 5.514 279 HB3 LEU 39 1HB LEU 39 12.966 -13.129 3.878 280 HG LEU 39 HG LEU 39 14.440 -11.140 4.239 281 HD11 LEU 39 1HD1 LEU 39 13.146 -9.613 2.867 282 HD12 LEU 39 2HD1 LEU 39 11.667 -10.491 3.251 283 HD13 LEU 39 3HD1 LEU 39 12.937 -11.275 2.314 284 HD21 LEU 39 3HD2 LEU 39 13.624 -10.462 6.442 285 HD22 LEU 39 1HD2 LEU 39 12.071 -10.019 5.733 286 HD23 LEU 39 2HD2 LEU 39 13.531 -9.139 5.280 287 H HIS 40 H HIS 40 12.714 -13.755 7.209 288 HA HIS 40 HA HIS 40 11.381 -12.117 9.288 289 HB2 HIS 40 2HB HIS 40 12.322 -14.985 9.550 290 HB3 HIS 40 1HB HIS 40 11.510 -14.040 10.796 291 HD1 HIS 40 HD1 HIS 40 8.985 -13.966 10.733 292 HD2 HIS 40 HD2 HIS 40 10.633 -15.753 7.358 293 HE1 HIS 40 HE1 HIS 40 7.044 -14.932 9.461 294 HE2 HIS 40 HE2 HIS 40 8.049 -15.907 7.376 295 H GLY 41 H GLY 41 12.632 -11.686 11.222 296 HA2 GLY 41 2HA GLY 41 15.301 -10.900 10.744 297 HA3 GLY 41 1HA GLY 41 14.539 -11.012 12.324 298 H GLU 42 H GLU 42 13.988 -13.695 12.478 299 HA GLU 42 HA GLU 42 16.642 -14.878 12.753 300 HB2 GLU 42 2HB GLU 42 15.129 -15.015 14.660 301 HB3 GLU 42 1HB GLU 42 13.912 -15.812 13.672 302 HG2 GLU 42 2HG GLU 42 15.458 -17.721 13.364 303 HG3 GLU 42 1HG GLU 42 16.608 -16.924 14.440 304 H GLY 43 H GLY 43 17.376 -15.758 10.873 305 HA2 GLY 43 2HA GLY 43 17.011 -18.114 9.864 306 HA3 GLY 43 1HA GLY 43 15.531 -17.396 9.256 307 HA PRO 44 HA PRO 44 18.883 -16.493 6.156 308 HB2 PRO 44 2HB PRO 44 18.541 -18.419 4.361 309 HB3 PRO 44 1HB PRO 44 19.372 -18.765 5.884 310 HG2 PRO 44 2HG PRO 44 16.557 -19.394 5.076 311 HG3 PRO 44 1HG PRO 44 17.705 -20.384 5.994 312 HD2 PRO 44 2HD PRO 44 15.675 -18.782 7.086 313 HD3 PRO 44 1HD PRO 44 17.061 -19.447 7.972 314 HA PRO 45 HA PRO 45 16.063 -14.497 3.233 315 HB2 PRO 45 2HB PRO 45 17.543 -14.512 0.937 316 HB3 PRO 45 1HB PRO 45 17.838 -13.396 2.272 317 HG2 PRO 45 2HG PRO 45 19.246 -15.957 1.603 318 HG3 PRO 45 1HG PRO 45 19.935 -14.405 2.116 319 HD2 PRO 45 2HD PRO 45 19.616 -16.472 3.828 320 HD3 PRO 45 1HD PRO 45 19.446 -14.782 4.349 321 HA PRO 46 HA PRO 46 13.820 -18.116 1.759 322 HB2 PRO 46 2HB PRO 46 12.553 -15.993 0.058 323 HB3 PRO 46 1HB PRO 46 11.788 -17.273 1.008 324 HG2 PRO 46 2HG PRO 46 11.828 -14.778 1.920 325 HG3 PRO 46 1HG PRO 46 12.100 -16.141 3.024 326 HD2 PRO 46 2HD PRO 46 14.064 -14.191 1.898 327 HD3 PRO 46 1HD PRO 46 14.048 -14.992 3.483 328 HA PRO 47 HA PRO 47 16.547 -19.112 -1.745 329 HB2 PRO 47 2HB PRO 47 14.374 -21.180 -1.943 330 HB3 PRO 47 1HB PRO 47 16.124 -21.374 -2.105 331 HG2 PRO 47 2HG PRO 47 14.906 -22.050 0.161 332 HG3 PRO 47 1HG PRO 47 16.486 -21.243 0.195 333 HD2 PRO 47 2HD PRO 47 13.791 -20.165 0.853 334 HD3 PRO 47 1HD PRO 47 15.381 -19.705 1.494 335 H VAL 48 H VAL 48 13.020 -19.527 -2.238 336 HA VAL 48 HA VAL 48 13.212 -17.717 -4.559 337 HB VAL 48 HB VAL 48 11.460 -20.186 -4.429 338 HG11 VAL 48 1HG1 VAL 48 10.410 -18.350 -5.652 339 HG12 VAL 48 2HG1 VAL 48 10.878 -19.648 -6.750 340 HG13 VAL 48 3HG1 VAL 48 11.851 -18.180 -6.657 341 HG21 VAL 48 3HG2 VAL 48 13.910 -19.646 -6.124 342 HG22 VAL 48 1HG2 VAL 48 12.867 -21.065 -6.243 343 HG23 VAL 48 2HG2 VAL 48 13.808 -20.782 -4.779 344 HA PRO 49 HA PRO 49 10.329 -15.666 -1.648 345 HB2 PRO 49 2HB PRO 49 10.455 -13.695 -3.895 346 HB3 PRO 49 1HB PRO 49 10.598 -13.427 -2.152 347 HG2 PRO 49 2HG PRO 49 12.756 -13.372 -3.703 348 HG3 PRO 49 1HG PRO 49 12.819 -14.127 -2.097 349 HD2 PRO 49 2HD PRO 49 12.672 -15.416 -4.798 350 HD3 PRO 49 1HD PRO 49 13.570 -15.925 -3.351 351 HA PRO 50 HA PRO 50 6.596 -17.134 -3.714 352 HB2 PRO 50 2HB PRO 50 4.841 -15.976 -1.898 353 HB3 PRO 50 1HB PRO 50 5.607 -17.554 -1.701 354 HG2 PRO 50 2HG PRO 50 6.391 -14.907 -0.549 355 HG3 PRO 50 1HG PRO 50 6.402 -16.509 0.212 356 HD2 PRO 50 2HD PRO 50 8.661 -15.364 -0.668 357 HD3 PRO 50 1HD PRO 50 8.402 -17.117 -0.808 358 H ALA 51 H ALA 51 7.170 -13.770 -2.830 359 HA ALA 51 HA ALA 51 5.946 -12.901 -5.325 360 HB1 ALA 51 3HB ALA 51 4.982 -11.792 -2.682 361 HB2 ALA 51 1HB ALA 51 4.062 -12.856 -3.747 362 HB3 ALA 51 2HB ALA 51 4.498 -11.235 -4.284 363 H GLN 52 H GLN 52 6.548 -10.719 -5.934 364 HA GLN 52 HA GLN 52 9.107 -9.919 -4.761 365 HB2 GLN 52 2HB GLN 52 7.718 -8.943 -7.268 366 HB3 GLN 52 1HB GLN 52 9.327 -8.464 -6.745 367 HG2 GLN 52 2HG GLN 52 8.429 -11.199 -7.634 368 HG3 GLN 52 1HG GLN 52 9.553 -10.117 -8.451 369 HE21 GLN 52 1HE2 GLN 52 11.656 -9.855 -7.571 370 HE22 GLN 52 2HE2 GLN 52 12.318 -11.018 -6.478 371 H HIS 53 H HIS 53 6.242 -9.358 -3.733 372 HA HIS 53 HA HIS 53 6.893 -6.628 -2.869 373 HB2 HIS 53 2HB HIS 53 4.202 -7.660 -3.784 374 HB3 HIS 53 1HB HIS 53 4.343 -6.270 -2.715 375 HD1 HIS 53 HD1 HIS 53 4.911 -7.329 -6.264 376 HD2 HIS 53 HD2 HIS 53 5.250 -3.913 -3.921 377 HE1 HIS 53 HE1 HIS 53 5.218 -5.432 -7.878 378 HE2 HIS 53 HE2 HIS 53 5.187 -3.359 -6.443 379 HA PRO 54 HA PRO 54 6.703 -8.440 1.216 380 HB2 PRO 54 2HB PRO 54 5.961 -6.137 2.586 381 HB3 PRO 54 1HB PRO 54 7.616 -6.561 2.141 382 HG2 PRO 54 2HG PRO 54 5.689 -4.730 0.759 383 HG3 PRO 54 1HG PRO 54 7.428 -4.519 1.039 384 HD2 PRO 54 2HD PRO 54 6.498 -5.261 -1.353 385 HD3 PRO 54 1HD PRO 54 8.006 -5.951 -0.709 386 H ASN 55 H ASN 55 4.013 -6.614 -0.123 387 HA ASN 55 HA ASN 55 1.844 -6.331 0.463 388 HB2 ASN 55 2HB ASN 55 2.218 -9.307 0.700 389 HB3 ASN 55 1HB ASN 55 0.635 -8.554 0.895 390 HD21 ASN 55 1HD2 ASN 55 -0.282 -9.356 -0.962 391 HD22 ASN 55 2HD2 ASN 55 0.230 -8.886 -2.549 392 HA PRO 56 HA PRO 56 2.579 -6.149 5.078 393 HB2 PRO 56 2HB PRO 56 2.482 -3.439 5.252 394 HB3 PRO 56 1HB PRO 56 3.977 -4.322 4.918 395 HG2 PRO 56 2HG PRO 56 2.125 -2.939 3.003 396 HG3 PRO 56 1HG PRO 56 3.898 -2.898 3.069 397 HD2 PRO 56 2HD PRO 56 2.556 -4.473 1.329 398 HD3 PRO 56 1HD PRO 56 4.111 -4.954 2.035 399 H CYS 57 H CYS 57 0.278 -5.084 2.765 400 HA CYS 57 HA CYS 57 -1.682 -4.132 4.691 401 HB2 CYS 57 2HB CYS 57 -2.144 -4.617 1.739 402 HB3 CYS 57 1HB CYS 57 -2.978 -3.485 2.800 403 HA PRO 58 HA PRO 58 -3.605 -8.069 5.349 404 HB2 PRO 58 2HB PRO 58 -6.177 -7.306 5.864 405 HB3 PRO 58 1HB PRO 58 -4.852 -7.093 7.013 406 HG2 PRO 58 2HG PRO 58 -6.036 -5.104 5.103 407 HG3 PRO 58 1HG PRO 58 -5.606 -4.891 6.811 408 HD2 PRO 58 2HD PRO 58 -4.001 -4.018 4.838 409 HD3 PRO 58 1HD PRO 58 -3.338 -4.684 6.346 410 HA PRO 59 HA PRO 59 -5.280 -9.763 1.580 411 HB2 PRO 59 2HB PRO 59 -7.245 -11.025 3.477 412 HB3 PRO 59 1HB PRO 59 -6.352 -11.759 2.138 413 HG2 PRO 59 2HG PRO 59 -5.528 -12.130 4.628 414 HG3 PRO 59 1HG PRO 59 -4.351 -11.824 3.336 415 HD2 PRO 59 2HD PRO 59 -5.307 -10.001 5.499 416 HD3 PRO 59 1HD PRO 59 -3.713 -10.095 4.722 417 H GLY 60 H GLY 60 -6.644 -8.882 0.141 418 HA2 GLY 60 2HA GLY 60 -8.892 -8.156 -0.489 419 HA3 GLY 60 1HA GLY 60 -9.068 -7.491 1.130 420 H TYR 61 H TYR 61 -6.228 -6.483 0.986 421 HA TYR 61 HA TYR 61 -6.493 -4.350 -1.037 422 HB2 TYR 61 2HB TYR 61 -5.788 -4.007 1.891 423 HB3 TYR 61 1HB TYR 61 -5.467 -2.773 0.675 424 HD1 TYR 61 HD2 TYR 61 -8.095 -4.551 2.539 425 HD2 TYR 61 HD1 TYR 61 -7.257 -1.465 -0.267 426 HE1 TYR 61 HE2 TYR 61 -10.383 -3.685 2.814 427 HE2 TYR 61 HE1 TYR 61 -9.532 -0.595 0.003 428 HH TYR 61 HH TYR 61 -11.615 -1.612 2.500 429 H GLU 62 H GLU 62 -4.729 -4.131 -2.265 430 HA GLU 62 HA GLU 62 -2.288 -5.573 -1.482 431 HB2 GLU 62 2HB GLU 62 -1.737 -5.636 -3.841 432 HB3 GLU 62 1HB GLU 62 -3.392 -6.192 -3.627 433 HG2 GLU 62 2HG GLU 62 -4.177 -3.917 -4.270 434 HG3 GLU 62 1HG GLU 62 -2.503 -3.489 -4.611 435 HA PRO 63 HA PRO 63 0.064 -1.816 -1.121 436 HB2 PRO 63 2HB PRO 63 2.412 -2.999 -2.396 437 HB3 PRO 63 1HB PRO 63 2.149 -2.610 -0.695 438 HG2 PRO 63 2HG PRO 63 2.300 -5.161 -1.619 439 HG3 PRO 63 1HG PRO 63 1.333 -4.698 -0.206 440 HD2 PRO 63 2HD PRO 63 0.444 -5.210 -3.026 441 HD3 PRO 63 1HD PRO 63 -0.320 -5.701 -1.498 442 H ASP 64 H ASP 64 0.060 0.008 -2.304 443 HA ASP 64 HA ASP 64 0.058 -0.177 -5.228 444 HB2 ASP 64 2HB ASP 64 -1.700 1.155 -4.160 445 HB3 ASP 64 1HB ASP 64 -0.482 2.168 -3.386 446 H ASP 65 H ASP 65 1.714 0.455 -6.499 447 HA ASP 65 HA ASP 65 4.189 1.362 -5.299 448 HB2 ASP 65 2HB ASP 65 3.522 0.977 -8.233 449 HB3 ASP 65 1HB ASP 65 5.131 1.122 -7.533 450 H GLN 66 H GLN 66 4.472 3.481 -4.835 451 HA GLN 66 HA GLN 66 2.819 5.454 -6.234 452 HB2 GLN 66 2HB GLN 66 3.353 6.968 -4.379 453 HB3 GLN 66 1HB GLN 66 2.674 5.452 -3.807 454 HG2 GLN 66 2HG GLN 66 4.892 4.671 -3.180 455 HG3 GLN 66 1HG GLN 66 5.607 6.159 -3.797 456 HE21 GLN 66 1HE2 GLN 66 3.420 7.827 -2.763 457 HE22 GLN 66 2HE2 GLN 66 3.664 7.910 -1.057 458 H ASP 67 H ASP 67 3.557 7.011 -7.509 459 HA ASP 67 HA ASP 67 4.883 8.451 -8.639 460 HB2 ASP 67 2HB ASP 67 5.709 8.954 -6.285 461 HB3 ASP 67 1HB ASP 67 7.074 7.898 -6.631 462 H SER 68 H SER 68 5.427 7.737 -10.599 463 HA SER 68 HA SER 68 7.125 5.385 -10.911 464 HB2 SER 68 2HB SER 68 5.028 5.640 -12.249 465 HB3 SER 68 1HB SER 68 5.747 7.031 -13.058 466 HG SER 68 HG SER 68 6.780 5.708 -14.317 467 H CYS 69 H CYS 69 7.870 8.462 -10.339 468 HA CYS 69 HA CYS 69 10.006 8.674 -12.357 469 HB2 CYS 69 2HB CYS 69 8.913 10.727 -10.423 470 HB3 CYS 69 1HB CYS 69 10.278 11.010 -11.495 471 H VAL 70 H VAL 70 9.650 7.378 -9.355 472 HA VAL 70 HA VAL 70 12.003 8.217 -8.025 473 HB VAL 70 HB VAL 70 11.829 6.128 -6.718 474 HG11 VAL 70 1HG1 VAL 70 9.179 7.515 -7.162 475 HG12 VAL 70 2HG1 VAL 70 10.467 8.052 -6.082 476 HG13 VAL 70 3HG1 VAL 70 9.607 6.548 -5.749 477 HG21 VAL 70 3HG2 VAL 70 9.973 4.552 -7.165 478 HG22 VAL 70 1HG2 VAL 70 11.154 4.588 -8.478 479 HG23 VAL 70 2HG2 VAL 70 9.613 5.425 -8.653 480 H ASP 71 H ASP 71 14.094 7.369 -7.998 481 HA ASP 71 HA ASP 71 15.011 6.310 -10.481 482 HB2 ASP 71 2HB ASP 71 17.263 6.325 -9.360 483 HB3 ASP 71 1HB ASP 71 16.422 7.869 -9.352 Start of MODEL 18 1 H1 SER 1 1H SER 1 -1.250 -0.678 -21.555 2 H2 SER 1 2H SER 1 0.234 -0.356 -22.300 3 H3 SER 1 3H SER 1 -1.048 0.733 -22.465 4 HA SER 1 HA SER 1 -0.999 1.202 -20.102 5 HB2 SER 1 2HB SER 1 1.430 -0.619 -20.101 6 HB3 SER 1 1HB SER 1 0.881 0.354 -18.734 7 HG SER 1 HG SER 1 -0.022 -1.584 -18.375 8 H ASP 2 H ASP 2 -0.664 3.269 -20.853 9 HA ASP 2 HA ASP 2 2.047 4.039 -21.667 10 HB2 ASP 2 2HB ASP 2 0.982 6.256 -22.177 11 HB3 ASP 2 1HB ASP 2 0.325 4.906 -23.097 12 H VAL 3 H VAL 3 2.993 6.035 -20.687 13 HA VAL 3 HA VAL 3 2.797 5.705 -17.777 14 HB VAL 3 HB VAL 3 4.986 7.078 -19.348 15 HG11 VAL 3 1HG1 VAL 3 6.329 6.710 -17.331 16 HG12 VAL 3 2HG1 VAL 3 4.933 5.987 -16.531 17 HG13 VAL 3 3HG1 VAL 3 4.903 7.691 -16.985 18 HG21 VAL 3 3HG2 VAL 3 4.806 4.768 -20.091 19 HG22 VAL 3 1HG2 VAL 3 4.823 4.203 -18.418 20 HG23 VAL 3 2HG2 VAL 3 6.254 4.973 -19.107 21 H ASN 4 H ASN 4 2.084 7.284 -16.440 22 HA ASN 4 HA ASN 4 1.601 9.971 -17.542 23 HB2 ASN 4 2HB ASN 4 0.662 8.757 -14.929 24 HB3 ASN 4 1HB ASN 4 0.188 10.329 -15.566 25 HD21 ASN 4 1HD2 ASN 4 -1.206 10.410 -17.369 26 HD22 ASN 4 2HD2 ASN 4 -2.161 9.043 -17.815 27 H GLU 5 H GLU 5 2.780 11.724 -16.888 28 HA GLU 5 HA GLU 5 5.155 11.337 -15.361 29 HB2 GLU 5 2HB GLU 5 3.883 13.944 -16.206 30 HB3 GLU 5 1HB GLU 5 5.550 13.715 -15.698 31 HG2 GLU 5 2HG GLU 5 5.873 12.204 -17.650 32 HG3 GLU 5 1HG GLU 5 4.240 12.613 -18.175 33 H CYS 6 H CYS 6 5.610 13.309 -13.641 34 HA CYS 6 HA CYS 6 4.187 12.263 -11.368 35 HB2 CYS 6 2HB CYS 6 6.357 14.360 -11.523 36 HB3 CYS 6 1HB CYS 6 5.763 13.622 -10.037 37 H LEU 7 H LEU 7 3.527 14.905 -13.361 38 HA LEU 7 HA LEU 7 2.273 16.533 -11.326 39 HB2 LEU 7 2HB LEU 7 1.659 18.022 -13.039 40 HB3 LEU 7 1HB LEU 7 3.242 17.421 -13.480 41 HG LEU 7 HG LEU 7 0.613 16.564 -14.717 42 HD11 LEU 7 1HD1 LEU 7 1.252 18.809 -15.371 43 HD12 LEU 7 2HD1 LEU 7 1.467 17.696 -16.723 44 HD13 LEU 7 3HD1 LEU 7 2.869 18.250 -15.806 45 HD21 LEU 7 3HD2 LEU 7 1.986 15.349 -16.344 46 HD22 LEU 7 1HD2 LEU 7 2.179 14.709 -14.712 47 HD23 LEU 7 2HD2 LEU 7 3.432 15.736 -15.410 48 H THR 8 H THR 8 1.443 13.693 -11.673 49 HA THR 8 HA THR 8 -1.286 13.760 -12.635 50 HB THR 8 HB THR 8 0.033 11.741 -12.988 51 HG1 THR 8 HG1 THR 8 -1.506 10.240 -12.000 52 HG21 THR 8 3HG2 THR 8 0.679 10.285 -11.105 53 HG22 THR 8 1HG2 THR 8 0.102 11.503 -9.966 54 HG23 THR 8 2HG2 THR 8 1.482 11.851 -11.008 55 H ILE 9 H ILE 9 -2.902 12.492 -11.079 56 HA ILE 9 HA ILE 9 -3.343 14.286 -8.869 57 HB ILE 9 HB ILE 9 -4.927 11.892 -9.824 58 HG12 ILE 9 2HG1 ILE 9 -4.874 13.725 -11.444 59 HG13 ILE 9 1HG1 ILE 9 -6.476 13.593 -10.728 60 HG21 ILE 9 1HG2 ILE 9 -5.655 13.957 -7.742 61 HG22 ILE 9 2HG2 ILE 9 -5.394 12.233 -7.476 62 HG23 ILE 9 3HG2 ILE 9 -6.773 12.779 -8.430 63 HD11 ILE 9 3HD1 ILE 9 -5.987 15.479 -9.267 64 HD12 ILE 9 1HD1 ILE 9 -5.792 15.909 -10.964 65 HD13 ILE 9 2HD1 ILE 9 -4.372 15.605 -9.966 66 HA PRO 10 HA PRO 10 -1.270 11.734 -5.832 67 HB2 PRO 10 2HB PRO 10 -2.172 13.025 -3.601 68 HB3 PRO 10 1HB PRO 10 -0.875 13.648 -4.627 69 HG2 PRO 10 2HG PRO 10 -3.785 14.379 -4.602 70 HG3 PRO 10 1HG PRO 10 -2.365 15.441 -4.704 71 HD2 PRO 10 2HD PRO 10 -3.809 14.777 -6.886 72 HD3 PRO 10 1HD PRO 10 -2.050 15.010 -6.963 73 H GLU 11 H GLU 11 -2.588 9.865 -6.374 74 HA GLU 11 HA GLU 11 -4.955 9.356 -4.752 75 HB2 GLU 11 2HB GLU 11 -3.482 7.586 -6.721 76 HB3 GLU 11 1HB GLU 11 -4.962 7.134 -5.887 77 HG2 GLU 11 2HG GLU 11 -6.092 9.074 -6.962 78 HG3 GLU 11 1HG GLU 11 -4.623 9.358 -7.895 79 H ALA 12 H ALA 12 -1.864 9.446 -3.901 80 HA ALA 12 HA ALA 12 -2.033 7.075 -2.136 81 HB1 ALA 12 3HB ALA 12 0.470 8.342 -3.262 82 HB2 ALA 12 1HB ALA 12 -0.251 6.825 -3.799 83 HB3 ALA 12 2HB ALA 12 0.410 6.957 -2.170 84 H CYS 13 H CYS 13 -0.615 7.349 -0.123 85 HA CYS 13 HA CYS 13 -1.152 9.987 1.058 86 HB2 CYS 13 2HB CYS 13 -0.661 7.269 2.279 87 HB3 CYS 13 1HB CYS 13 -0.593 8.741 3.241 88 H LYS 14 H LYS 14 0.417 11.204 2.057 89 HA LYS 14 HA LYS 14 3.063 10.913 0.969 90 HB2 LYS 14 2HB LYS 14 1.927 13.099 1.164 91 HB3 LYS 14 1HB LYS 14 1.957 12.950 2.916 92 HG2 LYS 14 2HG LYS 14 4.375 13.042 2.921 93 HG3 LYS 14 1HG LYS 14 4.402 13.070 1.155 94 HD2 LYS 14 2HD LYS 14 3.144 15.197 1.199 95 HD3 LYS 14 1HD LYS 14 3.212 15.180 2.962 96 HE2 LYS 14 2HE LYS 14 5.633 15.317 2.901 97 HE3 LYS 14 1HE LYS 14 5.621 15.215 1.139 98 HZ1 LYS 14 3HZ LYS 14 4.423 17.305 1.062 99 HZ2 LYS 14 1HZ LYS 14 5.881 17.493 1.902 100 HZ3 LYS 14 2HZ LYS 14 4.418 17.401 2.749 101 H GLY 15 H GLY 15 4.657 9.756 1.882 102 HA2 GLY 15 2HA GLY 15 6.138 9.060 3.544 103 HA3 GLY 15 1HA GLY 15 5.123 9.831 4.750 104 H GLU 16 H GLU 16 2.689 8.479 3.979 105 HA GLU 16 HA GLU 16 3.129 5.983 5.416 106 HB2 GLU 16 2HB GLU 16 0.530 7.241 4.493 107 HB3 GLU 16 1HB GLU 16 0.708 5.928 5.652 108 HG2 GLU 16 2HG GLU 16 1.849 7.421 7.200 109 HG3 GLU 16 1HG GLU 16 1.733 8.737 6.035 110 H MET 17 H MET 17 1.916 3.983 4.676 111 HA MET 17 HA MET 17 2.646 3.548 1.879 112 HB2 MET 17 2HB MET 17 1.712 1.538 3.937 113 HB3 MET 17 1HB MET 17 2.393 1.168 2.361 114 HG2 MET 17 2HG MET 17 4.503 2.304 3.121 115 HG3 MET 17 1HG MET 17 3.796 2.370 4.735 116 HE1 MET 17 3HE MET 17 2.085 -0.527 4.266 117 HE2 MET 17 1HE MET 17 2.703 0.048 5.818 118 HE3 MET 17 2HE MET 17 3.136 -1.559 5.236 119 H LYS 18 H LYS 18 1.291 3.065 0.256 120 HA LYS 18 HA LYS 18 -1.569 3.438 0.702 121 HB2 LYS 18 2HB LYS 18 -0.553 4.734 -1.065 122 HB3 LYS 18 1HB LYS 18 0.107 3.286 -1.809 123 HG2 LYS 18 2HG LYS 18 -2.187 2.518 -2.297 124 HG3 LYS 18 1HG LYS 18 -2.813 4.019 -1.605 125 HD2 LYS 18 2HD LYS 18 -1.721 5.326 -3.300 126 HD3 LYS 18 1HD LYS 18 -0.869 3.910 -3.913 127 HE2 LYS 18 2HE LYS 18 -3.097 2.922 -4.497 128 HE3 LYS 18 1HE LYS 18 -3.835 4.464 -4.053 129 HZ1 LYS 18 3HZ LYS 18 -2.551 5.551 -5.757 130 HZ2 LYS 18 1HZ LYS 18 -3.416 4.275 -6.444 131 HZ3 LYS 18 2HZ LYS 18 -1.758 4.109 -6.149 132 H CYS 19 H CYS 19 -2.581 1.636 1.336 133 HA CYS 19 HA CYS 19 -2.069 -0.914 -0.060 134 HB2 CYS 19 2HB CYS 19 -3.491 -0.392 2.566 135 HB3 CYS 19 1HB CYS 19 -3.240 -1.977 1.839 136 H ILE 20 H ILE 20 -3.436 -1.236 -1.726 137 HA ILE 20 HA ILE 20 -6.273 -0.459 -1.382 138 HB ILE 20 HB ILE 20 -6.371 0.064 -3.799 139 HG12 ILE 20 2HG1 ILE 20 -3.346 -0.198 -3.709 140 HG13 ILE 20 1HG1 ILE 20 -4.436 -1.328 -4.509 141 HG21 ILE 20 1HG2 ILE 20 -6.082 1.857 -2.181 142 HG22 ILE 20 2HG2 ILE 20 -5.226 2.226 -3.678 143 HG23 ILE 20 3HG2 ILE 20 -4.329 1.670 -2.264 144 HD11 ILE 20 3HD1 ILE 20 -5.143 0.440 -6.037 145 HD12 ILE 20 1HD1 ILE 20 -3.399 0.179 -6.101 146 HD13 ILE 20 2HD1 ILE 20 -4.051 1.569 -5.237 147 H ASN 21 H ASN 21 -7.825 -1.698 -2.564 148 HA ASN 21 HA ASN 21 -6.824 -4.267 -3.639 149 HB2 ASN 21 2HB ASN 21 -8.995 -5.283 -3.023 150 HB3 ASN 21 1HB ASN 21 -8.128 -4.679 -1.615 151 HD21 ASN 21 1HD2 ASN 21 -10.066 -4.599 -0.433 152 HD22 ASN 21 2HD2 ASN 21 -11.225 -3.347 -0.697 153 H HIS 22 H HIS 22 -8.300 -5.203 -5.371 154 HA HIS 22 HA HIS 22 -8.593 -3.225 -7.401 155 HB2 HIS 22 2HB HIS 22 -9.448 -6.129 -7.389 156 HB3 HIS 22 1HB HIS 22 -9.432 -5.090 -8.812 157 HD1 HIS 22 HD1 HIS 22 -7.195 -7.022 -6.544 158 HD2 HIS 22 HD2 HIS 22 -6.858 -4.510 -9.836 159 HE1 HIS 22 HE1 HIS 22 -4.819 -7.240 -7.311 160 HE2 HIS 22 HE2 HIS 22 -4.608 -5.634 -9.229 161 H TYR 23 H TYR 23 -10.702 -4.162 -4.932 162 HA TYR 23 HA TYR 23 -13.200 -3.657 -6.196 163 HB2 TYR 23 2HB TYR 23 -12.311 -3.705 -3.319 164 HB3 TYR 23 1HB TYR 23 -13.940 -3.195 -3.752 165 HD1 TYR 23 HD1 TYR 23 -11.562 -6.015 -4.365 166 HD2 TYR 23 HD2 TYR 23 -15.607 -4.796 -3.861 167 HE1 TYR 23 HE1 TYR 23 -12.276 -8.354 -4.459 168 HE2 TYR 23 HE2 TYR 23 -16.334 -7.144 -3.941 169 HH TYR 23 HH TYR 23 -14.224 -9.737 -3.656 170 H GLY 24 H GLY 24 -10.734 -1.600 -4.845 171 HA2 GLY 24 2HA GLY 24 -10.706 0.743 -5.579 172 HA3 GLY 24 1HA GLY 24 -12.446 0.773 -5.337 173 H GLY 25 H GLY 25 -11.175 -1.008 -2.856 174 HA2 GLY 25 2HA GLY 25 -11.579 0.997 -0.872 175 HA3 GLY 25 1HA GLY 25 -10.909 -0.607 -0.607 176 H TYR 26 H TYR 26 -10.237 2.583 -0.340 177 HA TYR 26 HA TYR 26 -7.345 2.269 -0.851 178 HB2 TYR 26 2HB TYR 26 -8.263 4.047 -2.169 179 HB3 TYR 26 1HB TYR 26 -9.129 4.711 -0.791 180 HD1 TYR 26 HD2 TYR 26 -5.652 4.026 -1.982 181 HD2 TYR 26 HD1 TYR 26 -8.191 6.497 0.382 182 HE1 TYR 26 HE2 TYR 26 -3.774 5.547 -1.557 183 HE2 TYR 26 HE1 TYR 26 -6.312 8.024 0.811 184 HH TYR 26 HH TYR 26 -3.809 7.890 0.835 185 H LEU 27 H LEU 27 -6.311 1.715 0.959 186 HA LEU 27 HA LEU 27 -6.922 3.176 3.457 187 HB2 LEU 27 2HB LEU 27 -6.036 0.297 3.172 188 HB3 LEU 27 1HB LEU 27 -6.239 1.145 4.694 189 HG LEU 27 HG LEU 27 -8.457 0.515 2.729 190 HD11 LEU 27 1HD1 LEU 27 -7.597 -1.477 3.873 191 HD12 LEU 27 2HD1 LEU 27 -9.226 -1.072 4.411 192 HD13 LEU 27 3HD1 LEU 27 -7.841 -0.687 5.432 193 HD21 LEU 27 3HD2 LEU 27 -8.560 1.783 5.470 194 HD22 LEU 27 1HD2 LEU 27 -9.957 1.301 4.505 195 HD23 LEU 27 2HD2 LEU 27 -8.894 2.585 3.935 196 H CYS 28 H CYS 28 -5.216 4.107 4.497 197 HA CYS 28 HA CYS 28 -2.519 3.580 3.411 198 HB2 CYS 28 2HB CYS 28 -3.590 6.055 4.786 199 HB3 CYS 28 1HB CYS 28 -1.903 5.820 4.332 200 H LEU 29 H LEU 29 -1.081 2.594 4.678 201 HA LEU 29 HA LEU 29 -1.697 2.284 7.542 202 HB2 LEU 29 2HB LEU 29 0.211 0.736 5.770 203 HB3 LEU 29 1HB LEU 29 -0.067 0.416 7.473 204 HG LEU 29 HG LEU 29 -2.099 0.126 5.254 205 HD11 LEU 29 1HD1 LEU 29 -1.977 -2.259 5.744 206 HD12 LEU 29 2HD1 LEU 29 -0.729 -1.960 6.954 207 HD13 LEU 29 3HD1 LEU 29 -0.403 -1.631 5.253 208 HD21 LEU 29 3HD2 LEU 29 -3.190 0.868 7.290 209 HD22 LEU 29 1HD2 LEU 29 -2.373 -0.390 8.219 210 HD23 LEU 29 2HD2 LEU 29 -3.563 -0.830 6.992 211 HA PRO 30 HA PRO 30 1.561 4.939 8.953 212 HB2 PRO 30 2HB PRO 30 2.602 3.379 11.011 213 HB3 PRO 30 1HB PRO 30 1.195 4.438 11.147 214 HG2 PRO 30 2HG PRO 30 1.310 1.486 10.668 215 HG3 PRO 30 1HG PRO 30 0.208 2.415 11.704 216 HD2 PRO 30 2HD PRO 30 -0.592 1.506 9.319 217 HD3 PRO 30 1HD PRO 30 -1.105 3.107 9.895 218 H ARG 31 H ARG 31 3.860 5.187 9.040 219 HA ARG 31 HA ARG 31 5.134 3.631 6.969 220 HB2 ARG 31 2HB ARG 31 5.293 6.133 7.219 221 HB3 ARG 31 1HB ARG 31 6.311 5.871 8.628 222 HG2 ARG 31 2HG ARG 31 7.967 4.733 7.228 223 HG3 ARG 31 1HG ARG 31 6.939 4.975 5.814 224 HD2 ARG 31 2HD ARG 31 7.079 7.471 6.354 225 HD3 ARG 31 1HD ARG 31 8.392 7.042 7.452 226 HE ARG 31 HE ARG 31 8.879 5.927 4.914 227 HH11 ARG 31 1HH1 ARG 31 8.827 8.972 6.512 228 HH12 ARG 31 2HH1 ARG 31 9.952 9.691 5.411 229 HH21 ARG 31 1HH2 ARG 31 10.324 6.855 3.516 230 HH22 ARG 31 2HH2 ARG 31 10.807 8.498 3.746 231 H SER 32 H SER 32 4.717 2.752 10.008 232 HA SER 32 HA SER 32 7.263 2.127 11.038 233 HB2 SER 32 2HB SER 32 5.283 2.000 12.449 234 HB3 SER 32 1HB SER 32 4.618 0.704 11.453 235 HG SER 32 HG SER 32 5.568 -0.394 13.049 236 H ALA 33 H ALA 33 5.286 0.499 8.644 237 HA ALA 33 HA ALA 33 6.959 -1.897 8.680 238 HB1 ALA 33 3HB ALA 33 5.347 -2.828 7.110 239 HB2 ALA 33 1HB ALA 33 4.530 -1.268 7.001 240 HB3 ALA 33 2HB ALA 33 4.527 -2.162 8.523 241 H ALA 34 H ALA 34 7.983 -2.725 6.767 242 HA ALA 34 HA ALA 34 8.665 -0.680 4.741 243 HB1 ALA 34 3HB ALA 34 10.970 -1.474 4.737 244 HB2 ALA 34 1HB ALA 34 10.583 -2.648 5.997 245 HB3 ALA 34 2HB ALA 34 10.505 -0.920 6.346 246 H VAL 35 H VAL 35 9.270 -1.488 2.648 247 HA VAL 35 HA VAL 35 7.943 -4.004 1.994 248 HB VAL 35 HB VAL 35 8.309 -3.299 -0.404 249 HG11 VAL 35 1HG1 VAL 35 6.765 -1.413 1.388 250 HG12 VAL 35 2HG1 VAL 35 6.180 -2.937 0.720 251 HG13 VAL 35 3HG1 VAL 35 6.540 -1.586 -0.354 252 HG21 VAL 35 3HG2 VAL 35 10.219 -1.794 -0.046 253 HG22 VAL 35 1HG2 VAL 35 9.187 -0.697 0.873 254 HG23 VAL 35 2HG2 VAL 35 8.888 -0.960 -0.846 255 H ILE 36 H ILE 36 9.358 -5.606 2.642 256 HA ILE 36 HA ILE 36 11.914 -5.759 1.167 257 HB ILE 36 HB ILE 36 12.942 -6.951 2.981 258 HG12 ILE 36 2HG1 ILE 36 10.908 -8.166 3.793 259 HG13 ILE 36 1HG1 ILE 36 11.872 -7.471 5.087 260 HG21 ILE 36 1HG2 ILE 36 12.971 -5.220 4.724 261 HG22 ILE 36 2HG2 ILE 36 11.542 -4.480 4.002 262 HG23 ILE 36 3HG2 ILE 36 13.056 -4.537 3.099 263 HD11 ILE 36 3HD1 ILE 36 9.317 -6.327 3.984 264 HD12 ILE 36 1HD1 ILE 36 10.282 -5.631 5.286 265 HD13 ILE 36 2HD1 ILE 36 9.503 -7.197 5.506 266 H ASN 37 H ASN 37 12.429 -7.646 0.117 267 HA ASN 37 HA ASN 37 10.303 -9.521 -0.382 268 HB2 ASN 37 2HB ASN 37 11.894 -10.604 -1.926 269 HB3 ASN 37 1HB ASN 37 11.801 -8.866 -2.193 270 HD21 ASN 37 1HD2 ASN 37 13.756 -11.463 -0.935 271 HD22 ASN 37 2HD2 ASN 37 15.244 -10.585 -0.928 272 H ASP 38 H ASP 38 11.985 -9.340 2.295 273 HA ASP 38 HA ASP 38 12.712 -12.151 2.586 274 HB2 ASP 38 2HB ASP 38 12.859 -9.893 4.601 275 HB3 ASP 38 1HB ASP 38 13.584 -11.489 4.770 276 H LEU 39 H LEU 39 9.984 -10.222 3.019 277 HA LEU 39 HA LEU 39 8.313 -10.073 4.579 278 HB2 LEU 39 2HB LEU 39 6.920 -12.370 4.324 279 HB3 LEU 39 1HB LEU 39 6.885 -11.040 3.200 280 HG LEU 39 HG LEU 39 6.975 -13.170 2.047 281 HD11 LEU 39 1HD1 LEU 39 9.545 -11.646 1.701 282 HD12 LEU 39 2HD1 LEU 39 7.995 -11.271 0.951 283 HD13 LEU 39 3HD1 LEU 39 8.832 -12.765 0.539 284 HD21 LEU 39 3HD2 LEU 39 8.907 -14.644 2.144 285 HD22 LEU 39 1HD2 LEU 39 8.122 -14.508 3.717 286 HD23 LEU 39 2HD2 LEU 39 9.623 -13.639 3.403 287 H HIS 40 H HIS 40 9.290 -13.486 5.154 288 HA HIS 40 HA HIS 40 8.363 -13.490 7.824 289 HB2 HIS 40 2HB HIS 40 10.483 -15.276 6.595 290 HB3 HIS 40 1HB HIS 40 9.577 -15.602 8.069 291 HD1 HIS 40 HD1 HIS 40 6.729 -14.969 7.084 292 HD2 HIS 40 HD2 HIS 40 9.507 -17.187 4.927 293 HE1 HIS 40 HE1 HIS 40 5.382 -16.370 5.494 294 HE2 HIS 40 HE2 HIS 40 7.085 -17.627 4.131 295 H GLY 41 H GLY 41 11.577 -12.926 6.429 296 HA2 GLY 41 2HA GLY 41 13.324 -11.657 7.270 297 HA3 GLY 41 1HA GLY 41 12.354 -11.314 8.689 298 H GLU 42 H GLU 42 12.037 -13.424 10.105 299 HA GLU 42 HA GLU 42 14.581 -14.091 11.136 300 HB2 GLU 42 2HB GLU 42 12.414 -14.016 12.415 301 HB3 GLU 42 1HB GLU 42 11.965 -15.531 11.651 302 HG2 GLU 42 2HG GLU 42 14.508 -15.321 13.228 303 HG3 GLU 42 1HG GLU 42 12.962 -15.536 14.044 304 H GLY 43 H GLY 43 15.993 -15.648 10.589 305 HA2 GLY 43 2HA GLY 43 16.814 -17.638 9.715 306 HA3 GLY 43 1HA GLY 43 15.173 -18.107 9.296 307 HA PRO 44 HA PRO 44 17.006 -16.865 5.269 308 HB2 PRO 44 2HB PRO 44 16.630 -19.136 3.919 309 HB3 PRO 44 1HB PRO 44 17.943 -18.995 5.097 310 HG2 PRO 44 2HG PRO 44 15.291 -20.351 5.368 311 HG3 PRO 44 1HG PRO 44 16.878 -20.860 5.972 312 HD2 PRO 44 2HD PRO 44 14.899 -19.540 7.465 313 HD3 PRO 44 1HD PRO 44 16.607 -19.695 7.919 314 HA PRO 45 HA PRO 45 12.881 -16.013 3.618 315 HB2 PRO 45 2HB PRO 45 13.600 -14.632 1.415 316 HB3 PRO 45 1HB PRO 45 13.770 -13.944 3.034 317 HG2 PRO 45 2HG PRO 45 15.849 -15.226 1.295 318 HG3 PRO 45 1HG PRO 45 15.964 -13.742 2.260 319 HD2 PRO 45 2HD PRO 45 16.946 -16.157 3.093 320 HD3 PRO 45 1HD PRO 45 16.386 -14.897 4.211 321 HA PRO 46 HA PRO 46 12.161 -19.318 0.685 322 HB2 PRO 46 2HB PRO 46 10.070 -18.231 -0.753 323 HB3 PRO 46 1HB PRO 46 9.892 -18.990 0.832 324 HG2 PRO 46 2HG PRO 46 10.141 -16.081 0.140 325 HG3 PRO 46 1HG PRO 46 9.035 -16.868 1.283 326 HD2 PRO 46 2HD PRO 46 11.233 -15.608 2.147 327 HD3 PRO 46 1HD PRO 46 10.695 -17.122 2.909 328 HA PRO 47 HA PRO 47 14.391 -18.349 -3.080 329 HB2 PRO 47 2HB PRO 47 12.504 -20.212 -4.443 330 HB3 PRO 47 1HB PRO 47 14.271 -20.231 -4.397 331 HG2 PRO 47 2HG PRO 47 12.867 -21.986 -2.969 332 HG3 PRO 47 1HG PRO 47 14.339 -21.252 -2.304 333 HD2 PRO 47 2HD PRO 47 11.468 -20.603 -1.724 334 HD3 PRO 47 1HD PRO 47 12.850 -20.695 -0.610 335 H VAL 48 H VAL 48 13.544 -16.184 -3.167 336 HA VAL 48 HA VAL 48 11.525 -15.774 -5.279 337 HB VAL 48 HB VAL 48 10.598 -13.849 -4.069 338 HG11 VAL 48 1HG1 VAL 48 10.575 -16.372 -2.403 339 HG12 VAL 48 2HG1 VAL 48 9.515 -16.012 -3.766 340 HG13 VAL 48 3HG1 VAL 48 9.407 -15.052 -2.291 341 HG21 VAL 48 3HG2 VAL 48 12.444 -14.668 -1.814 342 HG22 VAL 48 1HG2 VAL 48 11.196 -13.424 -1.718 343 HG23 VAL 48 2HG2 VAL 48 12.578 -13.204 -2.789 344 HA PRO 49 HA PRO 49 14.496 -12.795 -6.843 345 HB2 PRO 49 2HB PRO 49 12.893 -11.199 -8.327 346 HB3 PRO 49 1HB PRO 49 13.275 -12.855 -8.812 347 HG2 PRO 49 2HG PRO 49 10.823 -11.801 -7.444 348 HG3 PRO 49 1HG PRO 49 10.941 -12.952 -8.789 349 HD2 PRO 49 2HD PRO 49 10.546 -13.723 -6.202 350 HD3 PRO 49 1HD PRO 49 11.405 -14.728 -7.388 351 HA PRO 50 HA PRO 50 14.550 -9.389 -3.982 352 HB2 PRO 50 2HB PRO 50 15.811 -7.464 -5.528 353 HB3 PRO 50 1HB PRO 50 16.635 -8.753 -4.647 354 HG2 PRO 50 2HG PRO 50 15.862 -8.629 -7.537 355 HG3 PRO 50 1HG PRO 50 17.363 -9.229 -6.804 356 HD2 PRO 50 2HD PRO 50 15.464 -10.916 -7.658 357 HD3 PRO 50 1HD PRO 50 16.389 -11.256 -6.177 358 H ALA 51 H ALA 51 13.003 -9.060 -7.070 359 HA ALA 51 HA ALA 51 11.808 -6.487 -6.572 360 HB1 ALA 51 3HB ALA 51 11.033 -8.591 -8.590 361 HB2 ALA 51 1HB ALA 51 12.228 -7.319 -8.847 362 HB3 ALA 51 2HB ALA 51 10.533 -6.900 -8.594 363 H GLN 52 H GLN 52 11.139 -9.595 -5.411 364 HA GLN 52 HA GLN 52 8.324 -9.622 -5.397 365 HB2 GLN 52 2HB GLN 52 9.668 -11.635 -5.000 366 HB3 GLN 52 1HB GLN 52 10.263 -10.959 -3.491 367 HG2 GLN 52 2HG GLN 52 8.505 -12.635 -3.141 368 HG3 GLN 52 1HG GLN 52 8.049 -11.047 -2.525 369 HE21 GLN 52 1HE2 GLN 52 7.452 -13.435 -4.994 370 HE22 GLN 52 2HE2 GLN 52 5.957 -12.767 -5.542 371 H HIS 53 H HIS 53 6.806 -8.883 -3.967 372 HA HIS 53 HA HIS 53 7.767 -6.980 -1.933 373 HB2 HIS 53 2HB HIS 53 5.196 -7.060 -3.520 374 HB3 HIS 53 1HB HIS 53 5.447 -5.979 -2.152 375 HD1 HIS 53 HD1 HIS 53 6.660 -6.596 -5.671 376 HD2 HIS 53 HD2 HIS 53 6.999 -3.738 -2.676 377 HE1 HIS 53 HE1 HIS 53 7.729 -4.614 -6.756 378 HE2 HIS 53 HE2 HIS 53 7.673 -2.822 -4.998 379 HA PRO 54 HA PRO 54 6.430 -9.619 1.315 380 HB2 PRO 54 2HB PRO 54 5.930 -7.755 3.263 381 HB3 PRO 54 1HB PRO 54 7.552 -8.252 2.766 382 HG2 PRO 54 2HG PRO 54 5.969 -5.849 1.916 383 HG3 PRO 54 1HG PRO 54 7.676 -5.953 2.391 384 HD2 PRO 54 2HD PRO 54 6.957 -5.844 -0.190 385 HD3 PRO 54 1HD PRO 54 8.322 -6.847 0.343 386 H ASN 55 H ASN 55 4.258 -7.136 0.169 387 HA ASN 55 HA ASN 55 2.060 -6.646 0.500 388 HB2 ASN 55 2HB ASN 55 2.006 -9.655 0.792 389 HB3 ASN 55 1HB ASN 55 0.538 -8.685 0.811 390 HD21 ASN 55 1HD2 ASN 55 -0.210 -7.804 -1.087 391 HD22 ASN 55 2HD2 ASN 55 0.457 -8.199 -2.629 392 HA PRO 56 HA PRO 56 2.582 -6.692 5.202 393 HB2 PRO 56 2HB PRO 56 2.621 -3.963 5.438 394 HB3 PRO 56 1HB PRO 56 4.081 -4.937 5.221 395 HG2 PRO 56 2HG PRO 56 2.490 -3.425 3.171 396 HG3 PRO 56 1HG PRO 56 4.250 -3.497 3.388 397 HD2 PRO 56 2HD PRO 56 3.005 -4.954 1.507 398 HD3 PRO 56 1HD PRO 56 4.412 -5.588 2.388 399 H CYS 57 H CYS 57 0.486 -5.381 2.829 400 HA CYS 57 HA CYS 57 -1.530 -4.413 4.690 401 HB2 CYS 57 2HB CYS 57 -1.891 -4.755 1.712 402 HB3 CYS 57 1HB CYS 57 -2.660 -3.587 2.787 403 HA PRO 58 HA PRO 58 -3.877 -8.092 5.425 404 HB2 PRO 58 2HB PRO 58 -6.162 -6.469 4.335 405 HB3 PRO 58 1HB PRO 58 -6.105 -7.488 5.779 406 HG2 PRO 58 2HG PRO 58 -5.887 -4.850 6.003 407 HG3 PRO 58 1HG PRO 58 -4.878 -5.920 6.995 408 HD2 PRO 58 2HD PRO 58 -4.132 -4.256 4.642 409 HD3 PRO 58 1HD PRO 58 -3.149 -4.747 6.037 410 HA PRO 59 HA PRO 59 -3.771 -10.393 1.591 411 HB2 PRO 59 2HB PRO 59 -5.940 -11.917 3.001 412 HB3 PRO 59 1HB PRO 59 -4.523 -12.525 2.132 413 HG2 PRO 59 2HG PRO 59 -4.509 -12.455 4.780 414 HG3 PRO 59 1HG PRO 59 -3.061 -11.978 3.871 415 HD2 PRO 59 2HD PRO 59 -5.056 -10.267 5.298 416 HD3 PRO 59 1HD PRO 59 -3.305 -10.039 5.100 417 H GLY 60 H GLY 60 -4.771 -10.060 -0.318 418 HA2 GLY 60 2HA GLY 60 -6.730 -9.860 -1.716 419 HA3 GLY 60 1HA GLY 60 -7.618 -9.249 -0.327 420 H TYR 61 H TYR 61 -5.242 -7.554 0.396 421 HA TYR 61 HA TYR 61 -5.563 -5.396 -1.585 422 HB2 TYR 61 2HB TYR 61 -4.428 -5.352 1.228 423 HB3 TYR 61 1HB TYR 61 -4.500 -3.958 0.159 424 HD1 TYR 61 HD2 TYR 61 -6.666 -6.473 1.869 425 HD2 TYR 61 HD1 TYR 61 -6.396 -2.577 0.156 426 HE1 TYR 61 HE2 TYR 61 -8.902 -5.935 2.737 427 HE2 TYR 61 HE1 TYR 61 -8.628 -2.036 1.028 428 HH TYR 61 HH TYR 61 -10.182 -3.901 3.359 429 H GLU 62 H GLU 62 -3.593 -4.156 -2.159 430 HA GLU 62 HA GLU 62 -1.061 -5.581 -1.769 431 HB2 GLU 62 2HB GLU 62 -0.449 -5.275 -4.145 432 HB3 GLU 62 1HB GLU 62 -1.826 -6.347 -3.935 433 HG2 GLU 62 2HG GLU 62 -3.347 -4.558 -4.584 434 HG3 GLU 62 1HG GLU 62 -1.984 -3.447 -4.749 435 HA PRO 63 HA PRO 63 0.385 -1.415 -1.057 436 HB2 PRO 63 2HB PRO 63 3.062 -1.869 -1.131 437 HB3 PRO 63 1HB PRO 63 2.048 -2.367 0.228 438 HG2 PRO 63 2HG PRO 63 3.074 -4.004 -2.064 439 HG3 PRO 63 1HG PRO 63 2.990 -4.419 -0.341 440 HD2 PRO 63 2HD PRO 63 1.166 -5.286 -2.174 441 HD3 PRO 63 1HD PRO 63 0.764 -5.007 -0.468 442 H ASP 64 H ASP 64 0.540 0.245 -2.452 443 HA ASP 64 HA ASP 64 1.045 -0.315 -5.253 444 HB2 ASP 64 2HB ASP 64 -0.842 1.126 -4.509 445 HB3 ASP 64 1HB ASP 64 0.321 2.306 -3.914 446 H ASP 65 H ASP 65 2.841 0.193 -6.398 447 HA ASP 65 HA ASP 65 5.159 1.177 -4.965 448 HB2 ASP 65 2HB ASP 65 4.814 0.241 -7.825 449 HB3 ASP 65 1HB ASP 65 6.354 0.721 -7.120 450 H GLN 66 H GLN 66 5.474 3.275 -4.720 451 HA GLN 66 HA GLN 66 4.538 5.144 -6.803 452 HB2 GLN 66 2HB GLN 66 4.518 6.837 -4.923 453 HB3 GLN 66 1HB GLN 66 3.315 5.559 -4.813 454 HG2 GLN 66 2HG GLN 66 4.638 4.394 -3.157 455 HG3 GLN 66 1HG GLN 66 5.936 5.575 -3.319 456 HE21 GLN 66 1HE2 GLN 66 4.213 7.873 -3.451 457 HE22 GLN 66 2HE2 GLN 66 3.560 8.097 -1.869 458 H ASP 67 H ASP 67 6.186 5.587 -8.073 459 HA ASP 67 HA ASP 67 8.788 6.307 -6.996 460 HB2 ASP 67 2HB ASP 67 7.721 6.480 -9.835 461 HB3 ASP 67 1HB ASP 67 9.405 6.645 -9.346 462 H SER 68 H SER 68 9.422 8.472 -8.658 463 HA SER 68 HA SER 68 7.499 10.540 -8.668 464 HB2 SER 68 2HB SER 68 8.272 11.976 -6.854 465 HB3 SER 68 1HB SER 68 7.763 10.415 -6.210 466 HG SER 68 HG SER 68 9.754 11.090 -5.304 467 H CYS 69 H CYS 69 8.229 12.538 -9.398 468 HA CYS 69 HA CYS 69 11.028 13.056 -9.918 469 HB2 CYS 69 2HB CYS 69 10.748 13.380 -12.343 470 HB3 CYS 69 1HB CYS 69 10.410 11.711 -11.895 471 H VAL 70 H VAL 70 11.208 15.305 -11.034 472 HA VAL 70 HA VAL 70 9.173 17.022 -9.765 473 HB VAL 70 HB VAL 70 12.000 17.757 -10.553 474 HG11 VAL 70 1HG1 VAL 70 9.956 19.276 -8.921 475 HG12 VAL 70 2HG1 VAL 70 10.498 19.682 -10.550 476 HG13 VAL 70 3HG1 VAL 70 11.628 19.770 -9.199 477 HG21 VAL 70 3HG2 VAL 70 12.503 17.685 -8.152 478 HG22 VAL 70 1HG2 VAL 70 11.986 16.108 -8.749 479 HG23 VAL 70 2HG2 VAL 70 10.867 17.109 -7.824 480 H ASP 71 H ASP 71 7.664 17.162 -11.425 481 HA ASP 71 HA ASP 71 8.391 18.172 -14.026 482 HB2 ASP 71 2HB ASP 71 5.763 17.580 -12.671 483 HB3 ASP 71 1HB ASP 71 5.815 18.434 -14.210 Start of MODEL 19 1 H1 SER 1 1H SER 1 1.784 -0.814 -13.152 2 H2 SER 1 2H SER 1 1.904 -0.699 -14.837 3 H3 SER 1 3H SER 1 0.552 -0.072 -14.042 4 HA SER 1 HA SER 1 2.079 1.675 -14.737 5 HB2 SER 1 2HB SER 1 1.814 1.274 -11.741 6 HB3 SER 1 1HB SER 1 2.293 2.790 -12.500 7 HG SER 1 HG SER 1 -0.205 1.598 -12.323 8 H ASP 2 H ASP 2 4.039 1.038 -15.680 9 HA ASP 2 HA ASP 2 6.240 0.225 -13.928 10 HB2 ASP 2 2HB ASP 2 6.305 0.634 -16.929 11 HB3 ASP 2 1HB ASP 2 7.457 -0.267 -15.945 12 H VAL 3 H VAL 3 5.859 2.626 -16.550 13 HA VAL 3 HA VAL 3 7.339 4.573 -14.917 14 HB VAL 3 HB VAL 3 8.988 3.747 -16.448 15 HG11 VAL 3 1HG1 VAL 3 7.519 2.731 -18.118 16 HG12 VAL 3 2HG1 VAL 3 8.711 3.781 -18.885 17 HG13 VAL 3 3HG1 VAL 3 7.046 4.329 -18.693 18 HG21 VAL 3 3HG2 VAL 3 7.952 6.406 -17.451 19 HG22 VAL 3 1HG2 VAL 3 9.586 5.781 -17.673 20 HG23 VAL 3 2HG2 VAL 3 9.003 6.165 -16.053 21 H ASN 4 H ASN 4 5.453 5.655 -14.402 22 HA ASN 4 HA ASN 4 4.122 7.066 -16.631 23 HB2 ASN 4 2HB ASN 4 3.035 6.362 -13.890 24 HB3 ASN 4 1HB ASN 4 2.198 7.376 -15.062 25 HD21 ASN 4 1HD2 ASN 4 1.315 4.884 -13.931 26 HD22 ASN 4 2HD2 ASN 4 1.085 3.801 -15.257 27 H GLU 5 H GLU 5 4.291 9.224 -16.716 28 HA GLU 5 HA GLU 5 6.018 10.616 -14.936 29 HB2 GLU 5 2HB GLU 5 4.126 11.739 -17.014 30 HB3 GLU 5 1HB GLU 5 5.444 12.613 -16.247 31 HG2 GLU 5 2HG GLU 5 7.048 11.045 -17.254 32 HG3 GLU 5 1HG GLU 5 5.715 10.216 -18.057 33 H CYS 6 H CYS 6 5.241 12.894 -14.116 34 HA CYS 6 HA CYS 6 3.425 12.419 -11.988 35 HB2 CYS 6 2HB CYS 6 4.645 14.998 -12.991 36 HB3 CYS 6 1HB CYS 6 3.728 14.852 -11.496 37 H LEU 7 H LEU 7 2.530 12.683 -15.064 38 HA LEU 7 HA LEU 7 0.393 14.556 -14.960 39 HB2 LEU 7 2HB LEU 7 -0.425 13.282 -17.000 40 HB3 LEU 7 1HB LEU 7 1.158 14.022 -17.107 41 HG LEU 7 HG LEU 7 2.124 11.715 -16.559 42 HD11 LEU 7 1HD1 LEU 7 0.137 10.634 -15.696 43 HD12 LEU 7 2HD1 LEU 7 0.711 9.786 -17.129 44 HD13 LEU 7 3HD1 LEU 7 -0.688 10.854 -17.240 45 HD21 LEU 7 3HD2 LEU 7 2.211 12.710 -18.787 46 HD22 LEU 7 1HD2 LEU 7 0.608 12.066 -19.147 47 HD23 LEU 7 2HD2 LEU 7 1.962 10.967 -18.877 48 H THR 8 H THR 8 0.775 11.487 -13.570 49 HA THR 8 HA THR 8 -1.966 10.647 -13.565 50 HB THR 8 HB THR 8 -0.164 9.014 -13.272 51 HG1 THR 8 HG1 THR 8 -1.407 7.839 -12.007 52 HG21 THR 8 3HG2 THR 8 1.084 8.869 -11.154 53 HG22 THR 8 1HG2 THR 8 0.336 10.372 -10.615 54 HG23 THR 8 2HG2 THR 8 1.424 10.377 -12.002 55 H ILE 9 H ILE 9 -2.950 10.133 -11.271 56 HA ILE 9 HA ILE 9 -3.319 12.738 -10.000 57 HB ILE 9 HB ILE 9 -4.857 10.154 -9.637 58 HG12 ILE 9 2HG1 ILE 9 -5.117 11.076 -11.890 59 HG13 ILE 9 1HG1 ILE 9 -6.608 11.262 -10.977 60 HG21 ILE 9 1HG2 ILE 9 -6.556 11.537 -8.520 61 HG22 ILE 9 2HG2 ILE 9 -5.487 12.937 -8.639 62 HG23 ILE 9 3HG2 ILE 9 -5.022 11.552 -7.648 63 HD11 ILE 9 3HD1 ILE 9 -4.573 13.427 -11.485 64 HD12 ILE 9 1HD1 ILE 9 -6.081 13.614 -10.587 65 HD13 ILE 9 2HD1 ILE 9 -6.121 13.234 -12.309 66 HA PRO 10 HA PRO 10 -0.775 11.560 -6.477 67 HB2 PRO 10 2HB PRO 10 -2.081 13.833 -5.113 68 HB3 PRO 10 1HB PRO 10 -0.373 13.578 -5.480 69 HG2 PRO 10 2HG PRO 10 -1.833 15.414 -6.788 70 HG3 PRO 10 1HG PRO 10 -0.557 14.487 -7.603 71 HD2 PRO 10 2HD PRO 10 -3.534 14.078 -7.669 72 HD3 PRO 10 1HD PRO 10 -2.358 14.008 -9.001 73 H GLU 11 H GLU 11 -2.446 9.698 -6.449 74 HA GLU 11 HA GLU 11 -4.534 9.893 -4.457 75 HB2 GLU 11 2HB GLU 11 -3.527 7.562 -6.104 76 HB3 GLU 11 1HB GLU 11 -4.885 7.465 -4.992 77 HG2 GLU 11 2HG GLU 11 -6.101 9.126 -6.305 78 HG3 GLU 11 1HG GLU 11 -4.731 9.266 -7.408 79 H ALA 12 H ALA 12 -1.334 9.723 -4.032 80 HA ALA 12 HA ALA 12 -1.292 7.673 -1.953 81 HB1 ALA 12 3HB ALA 12 0.889 9.549 -2.870 82 HB2 ALA 12 1HB ALA 12 0.630 7.907 -3.461 83 HB3 ALA 12 2HB ALA 12 1.083 8.178 -1.779 84 H CYS 13 H CYS 13 -0.700 8.143 0.251 85 HA CYS 13 HA CYS 13 -1.705 10.754 1.159 86 HB2 CYS 13 2HB CYS 13 -1.331 8.122 2.606 87 HB3 CYS 13 1HB CYS 13 -1.778 9.613 3.425 88 H LYS 14 H LYS 14 -0.496 12.176 2.354 89 HA LYS 14 HA LYS 14 2.336 12.030 2.063 90 HB2 LYS 14 2HB LYS 14 1.154 14.167 1.984 91 HB3 LYS 14 1HB LYS 14 0.628 13.961 3.650 92 HG2 LYS 14 2HG LYS 14 2.976 14.050 4.390 93 HG3 LYS 14 1HG LYS 14 3.482 14.293 2.717 94 HD2 LYS 14 2HD LYS 14 2.223 16.386 2.628 95 HD3 LYS 14 1HD LYS 14 1.660 16.130 4.279 96 HE2 LYS 14 2HE LYS 14 3.959 16.268 5.097 97 HE3 LYS 14 1HE LYS 14 4.544 16.480 3.448 98 HZ1 LYS 14 3HZ LYS 14 3.239 18.540 3.325 99 HZ2 LYS 14 1HZ LYS 14 4.403 18.599 4.549 100 HZ3 LYS 14 2HZ LYS 14 2.779 18.345 4.941 101 H GLY 15 H GLY 15 3.764 11.023 3.339 102 HA2 GLY 15 2HA GLY 15 4.816 10.268 5.250 103 HA3 GLY 15 1HA GLY 15 3.621 11.135 6.200 104 H GLU 16 H GLU 16 1.997 9.164 4.071 105 HA GLU 16 HA GLU 16 1.936 6.869 5.931 106 HB2 GLU 16 2HB GLU 16 -0.491 8.096 4.592 107 HB3 GLU 16 1HB GLU 16 -0.484 6.748 5.723 108 HG2 GLU 16 2HG GLU 16 0.291 8.221 7.505 109 HG3 GLU 16 1HG GLU 16 0.343 9.574 6.378 110 H MET 17 H MET 17 1.331 4.837 4.947 111 HA MET 17 HA MET 17 2.243 4.692 2.180 112 HB2 MET 17 2HB MET 17 1.632 2.509 4.185 113 HB3 MET 17 1HB MET 17 2.258 2.231 2.567 114 HG2 MET 17 2HG MET 17 4.264 3.565 3.172 115 HG3 MET 17 1HG MET 17 3.644 3.668 4.821 116 HE1 MET 17 3HE MET 17 2.253 0.743 5.025 117 HE2 MET 17 1HE MET 17 3.164 1.493 6.335 118 HE3 MET 17 2HE MET 17 3.549 -0.150 5.820 119 H LYS 18 H LYS 18 1.134 3.562 0.536 120 HA LYS 18 HA LYS 18 -1.790 3.762 0.770 121 HB2 LYS 18 2HB LYS 18 -0.734 5.122 -0.960 122 HB3 LYS 18 1HB LYS 18 0.033 3.695 -1.648 123 HG2 LYS 18 2HG LYS 18 -2.207 2.801 -2.208 124 HG3 LYS 18 1HG LYS 18 -2.925 4.290 -1.583 125 HD2 LYS 18 2HD LYS 18 -1.732 5.596 -3.256 126 HD3 LYS 18 1HD LYS 18 -0.929 4.140 -3.849 127 HE2 LYS 18 2HE LYS 18 -3.154 3.215 -4.450 128 HE3 LYS 18 1HE LYS 18 -3.889 4.740 -3.956 129 HZ1 LYS 18 3HZ LYS 18 -2.574 5.863 -5.654 130 HZ2 LYS 18 1HZ LYS 18 -3.552 4.665 -6.336 131 HZ3 LYS 18 2HZ LYS 18 -1.898 4.393 -6.132 132 H CYS 19 H CYS 19 -2.747 1.875 1.265 133 HA CYS 19 HA CYS 19 -1.753 -0.626 0.051 134 HB2 CYS 19 2HB CYS 19 -3.608 -0.235 2.416 135 HB3 CYS 19 1HB CYS 19 -3.103 -1.792 1.771 136 H ILE 20 H ILE 20 -2.761 -1.104 -1.789 137 HA ILE 20 HA ILE 20 -5.695 -0.751 -1.959 138 HB ILE 20 HB ILE 20 -5.453 -0.254 -4.375 139 HG12 ILE 20 2HG1 ILE 20 -2.489 -0.084 -3.745 140 HG13 ILE 20 1HG1 ILE 20 -3.258 -1.313 -4.743 141 HG21 ILE 20 1HG2 ILE 20 -3.953 1.662 -2.588 142 HG22 ILE 20 2HG2 ILE 20 -5.706 1.561 -2.746 143 HG23 ILE 20 3HG2 ILE 20 -4.725 2.058 -4.124 144 HD11 ILE 20 3HD1 ILE 20 -2.151 0.367 -6.096 145 HD12 ILE 20 1HD1 ILE 20 -3.133 1.630 -5.358 146 HD13 ILE 20 2HD1 ILE 20 -3.894 0.395 -6.360 147 H ASN 21 H ASN 21 -6.736 -2.196 -3.598 148 HA ASN 21 HA ASN 21 -5.168 -4.652 -4.084 149 HB2 ASN 21 2HB ASN 21 -7.148 -6.023 -3.549 150 HB3 ASN 21 1HB ASN 21 -6.575 -5.102 -2.165 151 HD21 ASN 21 1HD2 ASN 21 -8.589 -5.319 -1.189 152 HD22 ASN 21 2HD2 ASN 21 -9.950 -4.376 -1.689 153 H HIS 22 H HIS 22 -6.666 -6.202 -5.496 154 HA HIS 22 HA HIS 22 -6.879 -4.917 -8.038 155 HB2 HIS 22 2HB HIS 22 -7.739 -7.703 -7.231 156 HB3 HIS 22 1HB HIS 22 -7.492 -7.129 -8.877 157 HD1 HIS 22 HD1 HIS 22 -5.647 -8.288 -5.847 158 HD2 HIS 22 HD2 HIS 22 -4.793 -6.881 -9.661 159 HE1 HIS 22 HE1 HIS 22 -3.208 -8.739 -6.198 160 HE2 HIS 22 HE2 HIS 22 -2.691 -7.789 -8.460 161 H TYR 23 H TYR 23 -9.046 -5.116 -5.488 162 HA TYR 23 HA TYR 23 -11.459 -5.257 -7.115 163 HB2 TYR 23 2HB TYR 23 -11.043 -5.017 -4.125 164 HB3 TYR 23 1HB TYR 23 -12.627 -5.070 -4.893 165 HD1 TYR 23 HD1 TYR 23 -9.447 -7.030 -5.194 166 HD2 TYR 23 HD2 TYR 23 -13.671 -7.128 -4.673 167 HE1 TYR 23 HE1 TYR 23 -9.377 -9.475 -5.137 168 HE2 TYR 23 HE2 TYR 23 -13.609 -9.586 -4.614 169 HH TYR 23 HH TYR 23 -12.160 -11.419 -5.379 170 H GLY 24 H GLY 24 -9.373 -2.863 -5.809 171 HA2 GLY 24 2HA GLY 24 -9.595 -0.582 -6.589 172 HA3 GLY 24 1HA GLY 24 -11.339 -0.757 -6.490 173 H GLY 25 H GLY 25 -10.112 -2.199 -3.780 174 HA2 GLY 25 2HA GLY 25 -11.022 -0.209 -1.991 175 HA3 GLY 25 1HA GLY 25 -10.065 -1.616 -1.561 176 H TYR 26 H TYR 26 -10.006 1.354 -0.817 177 HA TYR 26 HA TYR 26 -7.133 1.798 -1.361 178 HB2 TYR 26 2HB TYR 26 -8.347 3.344 -2.750 179 HB3 TYR 26 1HB TYR 26 -9.381 3.828 -1.409 180 HD1 TYR 26 HD2 TYR 26 -5.967 4.069 -2.810 181 HD2 TYR 26 HD1 TYR 26 -8.669 5.494 0.156 182 HE1 TYR 26 HE2 TYR 26 -4.422 5.906 -2.289 183 HE2 TYR 26 HE1 TYR 26 -7.130 7.335 0.682 184 HH TYR 26 HH TYR 26 -4.609 7.758 0.457 185 H LEU 27 H LEU 27 -6.005 1.705 0.464 186 HA LEU 27 HA LEU 27 -7.099 2.947 2.920 187 HB2 LEU 27 2HB LEU 27 -5.317 0.502 2.786 188 HB3 LEU 27 1HB LEU 27 -5.936 1.252 4.245 189 HG LEU 27 HG LEU 27 -7.608 -0.144 2.142 190 HD11 LEU 27 1HD1 LEU 27 -6.233 -1.698 3.435 191 HD12 LEU 27 2HD1 LEU 27 -7.938 -1.860 3.855 192 HD13 LEU 27 3HD1 LEU 27 -6.844 -1.000 4.937 193 HD21 LEU 27 3HD2 LEU 27 -8.416 1.000 4.820 194 HD22 LEU 27 1HD2 LEU 27 -9.459 0.117 3.702 195 HD23 LEU 27 2HD2 LEU 27 -8.812 1.692 3.247 196 H CYS 28 H CYS 28 -5.650 4.168 4.169 197 HA CYS 28 HA CYS 28 -2.839 4.260 3.250 198 HB2 CYS 28 2HB CYS 28 -4.577 6.520 4.241 199 HB3 CYS 28 1HB CYS 28 -2.818 6.625 4.240 200 H LEU 29 H LEU 29 -1.506 3.373 4.654 201 HA LEU 29 HA LEU 29 -2.308 3.158 7.489 202 HB2 LEU 29 2HB LEU 29 -0.413 1.458 5.848 203 HB3 LEU 29 1HB LEU 29 -0.745 1.221 7.554 204 HG LEU 29 HG LEU 29 -2.702 0.889 5.273 205 HD11 LEU 29 1HD1 LEU 29 -2.743 -1.455 5.976 206 HD12 LEU 29 2HD1 LEU 29 -1.518 -1.112 7.198 207 HD13 LEU 29 3HD1 LEU 29 -1.125 -0.949 5.484 208 HD21 LEU 29 3HD2 LEU 29 -4.319 0.165 6.971 209 HD22 LEU 29 1HD2 LEU 29 -3.847 1.850 7.199 210 HD23 LEU 29 2HD2 LEU 29 -3.178 0.598 8.246 211 HA PRO 30 HA PRO 30 1.097 5.525 9.036 212 HB2 PRO 30 2HB PRO 30 2.183 3.898 10.981 213 HB3 PRO 30 1HB PRO 30 0.704 4.844 11.185 214 HG2 PRO 30 2HG PRO 30 1.015 1.948 10.462 215 HG3 PRO 30 1HG PRO 30 -0.107 2.696 11.616 216 HD2 PRO 30 2HD PRO 30 -0.925 1.971 9.177 217 HD3 PRO 30 1HD PRO 30 -1.520 3.464 9.931 218 H ARG 31 H ARG 31 3.227 5.933 8.629 219 HA ARG 31 HA ARG 31 4.626 4.166 6.839 220 HB2 ARG 31 2HB ARG 31 4.591 6.677 6.667 221 HB3 ARG 31 1HB ARG 31 5.619 6.739 8.090 222 HG2 ARG 31 2HG ARG 31 7.356 5.488 6.869 223 HG3 ARG 31 1HG ARG 31 6.323 5.483 5.436 224 HD2 ARG 31 2HD ARG 31 6.328 7.977 5.504 225 HD3 ARG 31 1HD ARG 31 7.491 7.899 6.827 226 HE ARG 31 HE ARG 31 7.985 7.218 4.022 227 HH11 ARG 31 1HH1 ARG 31 9.199 7.490 7.233 228 HH12 ARG 31 2HH1 ARG 31 10.846 7.579 6.720 229 HH21 ARG 31 1HH2 ARG 31 10.091 7.353 3.371 230 HH22 ARG 31 2HH2 ARG 31 11.347 7.513 4.550 231 H SER 32 H SER 32 4.454 4.294 10.182 232 HA SER 32 HA SER 32 7.014 3.726 11.096 233 HB2 SER 32 2HB SER 32 5.862 2.432 12.924 234 HB3 SER 32 1HB SER 32 5.217 4.051 12.668 235 HG SER 32 HG SER 32 3.365 3.136 12.378 236 H ALA 33 H ALA 33 4.777 1.671 9.360 237 HA ALA 33 HA ALA 33 6.694 -0.552 9.376 238 HB1 ALA 33 3HB ALA 33 4.971 -1.783 8.131 239 HB2 ALA 33 1HB ALA 33 3.965 -0.332 8.084 240 HB3 ALA 33 2HB ALA 33 4.318 -1.112 9.626 241 H ALA 34 H ALA 34 8.099 -0.884 7.696 242 HA ALA 34 HA ALA 34 7.925 1.035 5.463 243 HB1 ALA 34 3HB ALA 34 10.357 -0.377 6.552 244 HB2 ALA 34 1HB ALA 34 9.883 1.285 6.904 245 HB3 ALA 34 2HB ALA 34 10.341 0.827 5.263 246 H VAL 35 H VAL 35 8.419 0.391 3.342 247 HA VAL 35 HA VAL 35 7.761 -2.383 2.726 248 HB VAL 35 HB VAL 35 7.640 -1.621 0.378 249 HG11 VAL 35 1HG1 VAL 35 5.675 -0.173 0.627 250 HG12 VAL 35 2HG1 VAL 35 6.103 0.120 2.314 251 HG13 VAL 35 3HG1 VAL 35 5.651 -1.501 1.786 252 HG21 VAL 35 3HG2 VAL 35 8.366 1.096 1.502 253 HG22 VAL 35 1HG2 VAL 35 7.833 0.777 -0.151 254 HG23 VAL 35 2HG2 VAL 35 9.361 0.112 0.427 255 H ILE 36 H ILE 36 10.409 -1.711 3.862 256 HA ILE 36 HA ILE 36 12.403 -1.820 1.830 257 HB ILE 36 HB ILE 36 14.023 -2.055 3.554 258 HG12 ILE 36 2HG1 ILE 36 12.985 -3.897 4.831 259 HG13 ILE 36 1HG1 ILE 36 13.499 -2.591 5.888 260 HG21 ILE 36 1HG2 ILE 36 13.409 -0.245 5.113 261 HG22 ILE 36 2HG2 ILE 36 11.745 -0.343 4.538 262 HG23 ILE 36 3HG2 ILE 36 13.035 0.138 3.436 263 HD11 ILE 36 3HD1 ILE 36 10.675 -3.133 4.994 264 HD12 ILE 36 1HD1 ILE 36 11.189 -1.823 6.058 265 HD13 ILE 36 2HD1 ILE 36 11.362 -3.498 6.575 266 H ASN 37 H ASN 37 14.165 -3.614 1.988 267 HA ASN 37 HA ASN 37 13.000 -6.011 1.027 268 HB2 ASN 37 2HB ASN 37 15.177 -5.152 0.242 269 HB3 ASN 37 1HB ASN 37 15.874 -5.471 1.826 270 HD21 ASN 37 1HD2 ASN 37 16.273 -7.610 2.436 271 HD22 ASN 37 2HD2 ASN 37 16.290 -8.897 1.283 272 H ASP 38 H ASP 38 11.683 -6.845 2.712 273 HA ASP 38 HA ASP 38 13.204 -8.600 4.483 274 HB2 ASP 38 2HB ASP 38 12.669 -6.662 5.899 275 HB3 ASP 38 1HB ASP 38 10.959 -6.841 5.510 276 H LEU 39 H LEU 39 12.576 -10.557 3.903 277 HA LEU 39 HA LEU 39 9.727 -11.189 3.772 278 HB2 LEU 39 2HB LEU 39 9.918 -12.437 1.699 279 HB3 LEU 39 1HB LEU 39 10.325 -10.757 1.455 280 HG LEU 39 HG LEU 39 11.789 -12.012 0.092 281 HD11 LEU 39 1HD1 LEU 39 13.434 -11.343 2.518 282 HD12 LEU 39 2HD1 LEU 39 12.878 -10.176 1.321 283 HD13 LEU 39 3HD1 LEU 39 13.988 -11.463 0.849 284 HD21 LEU 39 3HD2 LEU 39 13.191 -13.849 0.840 285 HD22 LEU 39 1HD2 LEU 39 11.486 -14.205 1.103 286 HD23 LEU 39 2HD2 LEU 39 12.507 -13.732 2.461 287 H HIS 40 H HIS 40 9.374 -13.628 3.665 288 HA HIS 40 HA HIS 40 11.490 -15.303 4.667 289 HB2 HIS 40 2HB HIS 40 10.953 -14.163 6.738 290 HB3 HIS 40 1HB HIS 40 9.237 -14.477 6.515 291 HD1 HIS 40 HD1 HIS 40 12.428 -16.539 6.901 292 HD2 HIS 40 HD2 HIS 40 8.394 -16.645 7.905 293 HE1 HIS 40 HE1 HIS 40 12.134 -18.601 8.297 294 HE2 HIS 40 HE2 HIS 40 9.733 -18.550 9.031 295 H GLY 41 H GLY 41 11.057 -17.464 4.417 296 HA2 GLY 41 2HA GLY 41 8.334 -18.188 3.487 297 HA3 GLY 41 1HA GLY 41 9.798 -18.873 2.804 298 H GLU 42 H GLU 42 8.252 -20.773 3.457 299 HA GLU 42 HA GLU 42 8.118 -21.589 6.163 300 HB2 GLU 42 2HB GLU 42 8.079 -23.384 3.722 301 HB3 GLU 42 1HB GLU 42 7.464 -23.775 5.320 302 HG2 GLU 42 2HG GLU 42 5.536 -23.282 4.161 303 HG3 GLU 42 1HG GLU 42 5.886 -21.748 4.954 304 H GLY 43 H GLY 43 10.428 -22.301 3.593 305 HA2 GLY 43 2HA GLY 43 12.558 -22.797 5.457 306 HA3 GLY 43 1HA GLY 43 11.998 -24.276 4.684 307 HA PRO 44 HA PRO 44 14.298 -23.067 0.984 308 HB2 PRO 44 2HB PRO 44 12.697 -23.918 -1.028 309 HB3 PRO 44 1HB PRO 44 13.579 -25.047 0.010 310 HG2 PRO 44 2HG PRO 44 10.708 -24.183 0.164 311 HG3 PRO 44 1HG PRO 44 11.390 -25.816 0.298 312 HD2 PRO 44 2HD PRO 44 10.685 -24.341 2.468 313 HD3 PRO 44 1HD PRO 44 12.023 -25.507 2.500 314 HA PRO 45 HA PRO 45 12.891 -19.058 -0.206 315 HB2 PRO 45 2HB PRO 45 13.896 -18.805 -2.745 316 HB3 PRO 45 1HB PRO 45 14.879 -18.689 -1.280 317 HG2 PRO 45 2HG PRO 45 14.474 -21.038 -3.104 318 HG3 PRO 45 1HG PRO 45 15.978 -20.425 -2.389 319 HD2 PRO 45 2HD PRO 45 14.706 -22.549 -1.350 320 HD3 PRO 45 1HD PRO 45 15.524 -21.363 -0.311 321 HA PRO 46 HA PRO 46 9.077 -19.942 -2.557 322 HB2 PRO 46 2HB PRO 46 8.216 -17.348 -1.464 323 HB3 PRO 46 1HB PRO 46 7.505 -18.947 -1.231 324 HG2 PRO 46 2HG PRO 46 8.784 -17.654 0.757 325 HG3 PRO 46 1HG PRO 46 8.837 -19.420 0.597 326 HD2 PRO 46 2HD PRO 46 10.893 -17.386 -0.224 327 HD3 PRO 46 1HD PRO 46 11.118 -18.932 0.626 328 HA PRO 47 HA PRO 47 9.511 -17.434 -6.233 329 HB2 PRO 47 2HB PRO 47 6.602 -16.786 -5.994 330 HB3 PRO 47 1HB PRO 47 7.500 -17.447 -7.366 331 HG2 PRO 47 2HG PRO 47 5.936 -19.021 -5.904 332 HG3 PRO 47 1HG PRO 47 7.506 -19.605 -6.491 333 HD2 PRO 47 2HD PRO 47 6.729 -18.684 -3.746 334 HD3 PRO 47 1HD PRO 47 7.802 -20.015 -4.227 335 H VAL 48 H VAL 48 10.671 -15.605 -5.786 336 HA VAL 48 HA VAL 48 9.192 -13.247 -4.800 337 HB VAL 48 HB VAL 48 11.308 -12.476 -3.695 338 HG11 VAL 48 1HG1 VAL 48 10.160 -15.083 -2.685 339 HG12 VAL 48 2HG1 VAL 48 9.513 -13.471 -2.380 340 HG13 VAL 48 3HG1 VAL 48 11.086 -13.929 -1.725 341 HG21 VAL 48 3HG2 VAL 48 12.218 -15.312 -4.239 342 HG22 VAL 48 1HG2 VAL 48 13.043 -14.156 -3.190 343 HG23 VAL 48 2HG2 VAL 48 12.917 -13.843 -4.921 344 HA PRO 49 HA PRO 49 10.992 -11.457 -8.519 345 HB2 PRO 49 2HB PRO 49 9.599 -9.180 -8.546 346 HB3 PRO 49 1HB PRO 49 8.789 -10.733 -8.809 347 HG2 PRO 49 2HG PRO 49 8.920 -9.066 -6.319 348 HG3 PRO 49 1HG PRO 49 7.530 -9.912 -7.024 349 HD2 PRO 49 2HD PRO 49 9.092 -10.895 -4.954 350 HD3 PRO 49 1HD PRO 49 8.096 -11.898 -6.027 351 HA PRO 50 HA PRO 50 14.341 -8.756 -7.271 352 HB2 PRO 50 2HB PRO 50 14.139 -6.765 -9.225 353 HB3 PRO 50 1HB PRO 50 15.022 -8.284 -9.391 354 HG2 PRO 50 2HG PRO 50 12.274 -7.578 -10.338 355 HG3 PRO 50 1HG PRO 50 13.526 -8.547 -11.139 356 HD2 PRO 50 2HD PRO 50 11.435 -9.719 -9.950 357 HD3 PRO 50 1HD PRO 50 13.056 -10.440 -9.858 358 H ALA 51 H ALA 51 11.401 -6.982 -8.261 359 HA ALA 51 HA ALA 51 11.810 -4.910 -6.273 360 HB1 ALA 51 3HB ALA 51 9.455 -5.445 -8.093 361 HB2 ALA 51 1HB ALA 51 10.810 -4.370 -8.443 362 HB3 ALA 51 2HB ALA 51 9.704 -3.992 -7.123 363 H GLN 52 H GLN 52 11.801 -7.276 -4.955 364 HA GLN 52 HA GLN 52 9.282 -8.217 -4.081 365 HB2 GLN 52 2HB GLN 52 10.600 -9.322 -2.261 366 HB3 GLN 52 1HB GLN 52 11.182 -9.649 -3.886 367 HG2 GLN 52 2HG GLN 52 12.909 -7.873 -3.543 368 HG3 GLN 52 1HG GLN 52 12.389 -7.774 -1.862 369 HE21 GLN 52 1HE2 GLN 52 14.967 -8.554 -2.998 370 HE22 GLN 52 2HE2 GLN 52 15.291 -10.133 -2.384 371 H HIS 53 H HIS 53 8.055 -7.789 -2.312 372 HA HIS 53 HA HIS 53 8.879 -5.591 -0.524 373 HB2 HIS 53 2HB HIS 53 6.238 -5.909 -1.966 374 HB3 HIS 53 1HB HIS 53 6.413 -4.891 -0.544 375 HD1 HIS 53 HD1 HIS 53 7.912 -5.184 -4.041 376 HD2 HIS 53 HD2 HIS 53 7.163 -2.345 -1.103 377 HE1 HIS 53 HE1 HIS 53 8.481 -2.971 -5.076 378 HE2 HIS 53 HE2 HIS 53 7.776 -1.272 -3.369 379 HA PRO 54 HA PRO 54 7.635 -8.282 2.844 380 HB2 PRO 54 2HB PRO 54 6.806 -6.316 4.612 381 HB3 PRO 54 1HB PRO 54 8.484 -6.819 4.379 382 HG2 PRO 54 2HG PRO 54 7.024 -4.482 3.208 383 HG3 PRO 54 1HG PRO 54 8.676 -4.564 3.851 384 HD2 PRO 54 2HD PRO 54 8.210 -4.582 1.212 385 HD3 PRO 54 1HD PRO 54 9.509 -5.564 1.920 386 H ASN 55 H ASN 55 5.506 -5.954 1.385 387 HA ASN 55 HA ASN 55 3.270 -5.604 1.342 388 HB2 ASN 55 2HB ASN 55 3.303 -8.604 1.679 389 HB3 ASN 55 1HB ASN 55 1.837 -7.686 1.346 390 HD21 ASN 55 1HD2 ASN 55 1.477 -8.587 -0.636 391 HD22 ASN 55 2HD2 ASN 55 2.488 -8.293 -2.004 392 HA PRO 56 HA PRO 56 3.099 -5.511 6.065 393 HB2 PRO 56 2HB PRO 56 2.663 -2.785 6.116 394 HB3 PRO 56 1HB PRO 56 4.254 -3.545 6.230 395 HG2 PRO 56 2HG PRO 56 2.881 -2.381 3.831 396 HG3 PRO 56 1HG PRO 56 4.569 -2.201 4.349 397 HD2 PRO 56 2HD PRO 56 3.904 -3.898 2.394 398 HD3 PRO 56 1HD PRO 56 5.158 -4.322 3.580 399 H CYS 57 H CYS 57 1.040 -4.697 3.420 400 HA CYS 57 HA CYS 57 -1.212 -3.863 5.057 401 HB2 CYS 57 2HB CYS 57 -1.286 -4.508 2.102 402 HB3 CYS 57 1HB CYS 57 -2.347 -3.433 3.005 403 HA PRO 58 HA PRO 58 -2.550 -7.968 6.032 404 HB2 PRO 58 2HB PRO 58 -5.290 -7.433 6.220 405 HB3 PRO 58 1HB PRO 58 -4.103 -7.219 7.511 406 HG2 PRO 58 2HG PRO 58 -5.212 -5.192 5.603 407 HG3 PRO 58 1HG PRO 58 -4.863 -5.033 7.337 408 HD2 PRO 58 2HD PRO 58 -3.208 -3.997 5.524 409 HD3 PRO 58 1HD PRO 58 -2.567 -4.793 6.977 410 HA PRO 59 HA PRO 59 -3.617 -10.248 2.382 411 HB2 PRO 59 2HB PRO 59 -5.599 -11.585 4.200 412 HB3 PRO 59 1HB PRO 59 -4.461 -12.308 3.054 413 HG2 PRO 59 2HG PRO 59 -3.911 -12.290 5.657 414 HG3 PRO 59 1HG PRO 59 -2.636 -11.992 4.461 415 HD2 PRO 59 2HD PRO 59 -4.000 -10.073 6.285 416 HD3 PRO 59 1HD PRO 59 -2.349 -10.038 5.639 417 H GLY 60 H GLY 60 -4.943 -9.763 0.724 418 HA2 GLY 60 2HA GLY 60 -7.160 -9.339 -0.191 419 HA3 GLY 60 1HA GLY 60 -7.585 -8.564 1.331 420 H TYR 61 H TYR 61 -4.711 -7.391 1.184 421 HA TYR 61 HA TYR 61 -5.107 -5.368 -0.919 422 HB2 TYR 61 2HB TYR 61 -4.452 -4.789 1.985 423 HB3 TYR 61 1HB TYR 61 -4.317 -3.605 0.688 424 HD1 TYR 61 HD1 TYR 61 -6.314 -2.648 -0.341 425 HD2 TYR 61 HD2 TYR 61 -6.634 -5.500 2.806 426 HE1 TYR 61 HE1 TYR 61 -8.679 -2.047 -0.041 427 HE2 TYR 61 HE2 TYR 61 -8.999 -4.907 3.110 428 HH TYR 61 HH TYR 61 -10.481 -2.947 2.657 429 H GLU 62 H GLU 62 -3.123 -4.219 -1.507 430 HA GLU 62 HA GLU 62 -0.638 -5.591 -0.725 431 HB2 GLU 62 2HB GLU 62 0.125 -5.634 -3.031 432 HB3 GLU 62 1HB GLU 62 -1.419 -6.466 -2.907 433 HG2 GLU 62 2HG GLU 62 -2.510 -4.341 -3.703 434 HG3 GLU 62 1HG GLU 62 -0.894 -3.725 -4.035 435 HA PRO 63 HA PRO 63 0.969 -1.503 -0.242 436 HB2 PRO 63 2HB PRO 63 3.619 -1.889 -0.493 437 HB3 PRO 63 1HB PRO 63 2.703 -2.591 0.848 438 HG2 PRO 63 2HG PRO 63 3.609 -3.889 -1.703 439 HG3 PRO 63 1HG PRO 63 3.689 -4.512 -0.045 440 HD2 PRO 63 2HD PRO 63 1.730 -5.210 -1.824 441 HD3 PRO 63 1HD PRO 63 1.492 -5.193 -0.064 442 H ASP 64 H ASP 64 1.026 0.252 -1.515 443 HA ASP 64 HA ASP 64 2.070 0.027 -4.262 444 HB2 ASP 64 2HB ASP 64 -0.342 0.711 -3.904 445 HB3 ASP 64 1HB ASP 64 0.255 2.172 -3.128 446 H ASP 65 H ASP 65 3.868 1.236 -4.818 447 HA ASP 65 HA ASP 65 5.278 2.539 -2.653 448 HB2 ASP 65 2HB ASP 65 6.063 2.088 -5.545 449 HB3 ASP 65 1HB ASP 65 7.121 2.789 -4.325 450 H GLN 66 H GLN 66 4.943 4.594 -2.140 451 HA GLN 66 HA GLN 66 3.508 6.330 -3.963 452 HB2 GLN 66 2HB GLN 66 3.409 7.846 -1.957 453 HB3 GLN 66 1HB GLN 66 2.705 6.250 -1.720 454 HG2 GLN 66 2HG GLN 66 4.779 5.528 -0.593 455 HG3 GLN 66 1HG GLN 66 5.425 7.156 -0.777 456 HE21 GLN 66 1HE2 GLN 66 2.827 8.408 -0.239 457 HE22 GLN 66 2HE2 GLN 66 2.564 8.237 1.457 458 H ASP 67 H ASP 67 4.966 6.944 -5.523 459 HA ASP 67 HA ASP 67 5.971 9.462 -5.350 460 HB2 ASP 67 2HB ASP 67 7.726 8.210 -3.815 461 HB3 ASP 67 1HB ASP 67 8.434 7.731 -5.353 462 H SER 68 H SER 68 7.806 6.734 -6.716 463 HA SER 68 HA SER 68 8.082 5.897 -8.796 464 HB2 SER 68 2HB SER 68 5.259 6.916 -9.159 465 HB3 SER 68 1HB SER 68 6.082 5.846 -10.292 466 HG SER 68 HG SER 68 4.689 5.059 -8.301 467 H CYS 69 H CYS 69 6.170 8.796 -9.665 468 HA CYS 69 HA CYS 69 7.349 9.293 -12.106 469 HB2 CYS 69 2HB CYS 69 5.321 10.428 -11.450 470 HB3 CYS 69 1HB CYS 69 6.163 11.275 -10.155 471 H VAL 70 H VAL 70 8.274 10.798 -9.008 472 HA VAL 70 HA VAL 70 10.804 11.676 -10.261 473 HB VAL 70 HB VAL 70 10.917 13.441 -8.545 474 HG11 VAL 70 1HG1 VAL 70 8.307 13.446 -10.073 475 HG12 VAL 70 2HG1 VAL 70 9.876 13.953 -10.698 476 HG13 VAL 70 3HG1 VAL 70 9.109 14.865 -9.397 477 HG21 VAL 70 3HG2 VAL 70 9.683 12.326 -6.755 478 HG22 VAL 70 1HG2 VAL 70 8.191 12.442 -7.691 479 HG23 VAL 70 2HG2 VAL 70 8.980 13.906 -7.100 480 H ASP 71 H ASP 71 12.360 12.214 -8.135 481 HA ASP 71 HA ASP 71 12.173 10.278 -6.025 482 HB2 ASP 71 2HB ASP 71 13.121 8.886 -7.843 483 HB3 ASP 71 1HB ASP 71 14.469 10.009 -7.986 Start of MODEL 20 1 H1 SER 1 1H SER 1 6.059 -1.238 -15.471 2 H2 SER 1 2H SER 1 5.613 -0.611 -13.968 3 H3 SER 1 3H SER 1 5.168 0.198 -15.383 4 HA SER 1 HA SER 1 3.724 -1.587 -16.034 5 HB2 SER 1 2HB SER 1 5.039 -3.430 -15.020 6 HB3 SER 1 1HB SER 1 4.550 -2.889 -13.414 7 HG SER 1 HG SER 1 2.927 -4.192 -13.722 8 H ASP 2 H ASP 2 2.224 0.055 -15.848 9 HA ASP 2 HA ASP 2 0.822 0.359 -13.320 10 HB2 ASP 2 2HB ASP 2 1.170 2.840 -13.299 11 HB3 ASP 2 1HB ASP 2 2.635 1.916 -12.985 12 H VAL 3 H VAL 3 -0.550 2.718 -13.880 13 HA VAL 3 HA VAL 3 -2.016 2.054 -16.361 14 HB VAL 3 HB VAL 3 -3.262 1.368 -14.344 15 HG11 VAL 3 1HG1 VAL 3 -4.164 3.039 -12.801 16 HG12 VAL 3 2HG1 VAL 3 -3.257 4.301 -13.633 17 HG13 VAL 3 3HG1 VAL 3 -2.399 3.023 -12.774 18 HG21 VAL 3 3HG2 VAL 3 -5.391 2.466 -14.886 19 HG22 VAL 3 1HG2 VAL 3 -4.511 2.001 -16.343 20 HG23 VAL 3 2HG2 VAL 3 -4.524 3.686 -15.819 21 H ASN 4 H ASN 4 -0.484 4.545 -14.521 22 HA ASN 4 HA ASN 4 -0.896 6.494 -16.566 23 HB2 ASN 4 2HB ASN 4 -3.087 6.631 -15.380 24 HB3 ASN 4 1HB ASN 4 -2.232 7.060 -13.902 25 HD21 ASN 4 1HD2 ASN 4 -3.327 9.033 -13.811 26 HD22 ASN 4 2HD2 ASN 4 -2.933 10.343 -14.866 27 H GLU 5 H GLU 5 0.456 8.322 -16.341 28 HA GLU 5 HA GLU 5 2.827 7.751 -14.807 29 HB2 GLU 5 2HB GLU 5 2.222 10.100 -16.612 30 HB3 GLU 5 1HB GLU 5 3.803 9.664 -15.986 31 HG2 GLU 5 2HG GLU 5 3.634 7.511 -17.219 32 HG3 GLU 5 1HG GLU 5 2.127 8.089 -17.931 33 H CYS 6 H CYS 6 3.909 10.183 -14.237 34 HA CYS 6 HA CYS 6 3.045 10.636 -11.620 35 HB2 CYS 6 2HB CYS 6 4.647 12.583 -13.284 36 HB3 CYS 6 1HB CYS 6 4.671 12.404 -11.533 37 H LEU 7 H LEU 7 2.008 12.179 -14.580 38 HA LEU 7 HA LEU 7 1.115 14.634 -13.553 39 HB2 LEU 7 2HB LEU 7 -0.027 14.970 -15.589 40 HB3 LEU 7 1HB LEU 7 1.407 14.041 -15.978 41 HG LEU 7 HG LEU 7 -1.388 12.898 -15.741 42 HD11 LEU 7 1HD1 LEU 7 -1.166 14.361 -17.683 43 HD12 LEU 7 2HD1 LEU 7 -1.295 12.671 -18.170 44 HD13 LEU 7 3HD1 LEU 7 0.274 13.479 -18.192 45 HD21 LEU 7 3HD2 LEU 7 0.323 11.255 -15.187 46 HD22 LEU 7 1HD2 LEU 7 1.179 11.624 -16.685 47 HD23 LEU 7 2HD2 LEU 7 -0.422 10.886 -16.741 48 H THR 8 H THR 8 -0.066 11.651 -12.695 49 HA THR 8 HA THR 8 -2.861 12.228 -12.473 50 HB THR 8 HB THR 8 -2.040 9.910 -12.470 51 HG1 THR 8 HG1 THR 8 -3.103 9.647 -10.057 52 HG21 THR 8 3HG2 THR 8 -0.895 10.564 -9.744 53 HG22 THR 8 1HG2 THR 8 0.042 10.246 -11.204 54 HG23 THR 8 2HG2 THR 8 -0.943 8.968 -10.491 55 H ILE 9 H ILE 9 -3.831 11.939 -10.112 56 HA ILE 9 HA ILE 9 -2.864 14.185 -8.534 57 HB ILE 9 HB ILE 9 -5.269 12.389 -8.109 58 HG12 ILE 9 2HG1 ILE 9 -5.430 13.675 -10.189 59 HG13 ILE 9 1HG1 ILE 9 -6.574 14.287 -9.000 60 HG21 ILE 9 1HG2 ILE 9 -4.546 14.999 -6.769 61 HG22 ILE 9 2HG2 ILE 9 -4.557 13.406 -6.016 62 HG23 ILE 9 3HG2 ILE 9 -6.068 14.131 -6.567 63 HD11 ILE 9 3HD1 ILE 9 -5.051 16.131 -8.497 64 HD12 ILE 9 1HD1 ILE 9 -5.510 16.099 -10.198 65 HD13 ILE 9 2HD1 ILE 9 -3.920 15.522 -9.703 66 HA PRO 10 HA PRO 10 -0.635 11.515 -5.620 67 HB2 PRO 10 2HB PRO 10 -0.808 13.889 -3.846 68 HB3 PRO 10 1HB PRO 10 0.616 13.009 -4.409 69 HG2 PRO 10 2HG PRO 10 0.025 15.443 -5.363 70 HG3 PRO 10 1HG PRO 10 0.721 14.186 -6.406 71 HD2 PRO 10 2HD PRO 10 -2.131 15.105 -6.186 72 HD3 PRO 10 1HD PRO 10 -1.186 14.705 -7.637 73 H GLU 11 H GLU 11 -2.766 10.335 -5.483 74 HA GLU 11 HA GLU 11 -4.656 11.160 -3.464 75 HB2 GLU 11 2HB GLU 11 -4.501 8.579 -5.031 76 HB3 GLU 11 1HB GLU 11 -5.869 9.111 -4.064 77 HG2 GLU 11 2HG GLU 11 -6.079 11.088 -5.564 78 HG3 GLU 11 1HG GLU 11 -4.814 10.392 -6.576 79 H ALA 12 H ALA 12 -1.713 9.869 -3.066 80 HA ALA 12 HA ALA 12 -2.386 7.791 -1.139 81 HB1 ALA 12 3HB ALA 12 0.309 8.852 -1.995 82 HB2 ALA 12 1HB ALA 12 -0.501 7.433 -2.656 83 HB3 ALA 12 2HB ALA 12 0.029 7.442 -0.974 84 H CYS 13 H CYS 13 -0.996 7.876 0.976 85 HA CYS 13 HA CYS 13 -1.662 10.432 2.254 86 HB2 CYS 13 2HB CYS 13 -1.181 7.648 3.303 87 HB3 CYS 13 1HB CYS 13 -1.156 9.034 4.381 88 H LYS 14 H LYS 14 -0.179 11.750 3.190 89 HA LYS 14 HA LYS 14 2.527 11.481 2.289 90 HB2 LYS 14 2HB LYS 14 1.254 13.633 2.393 91 HB3 LYS 14 1HB LYS 14 1.358 13.563 4.146 92 HG2 LYS 14 2HG LYS 14 3.735 13.800 4.089 93 HG3 LYS 14 1HG LYS 14 3.764 13.616 2.332 94 HD2 LYS 14 2HD LYS 14 2.408 15.694 2.144 95 HD3 LYS 14 1HD LYS 14 2.533 15.895 3.891 96 HE2 LYS 14 2HE LYS 14 4.915 16.156 3.756 97 HE3 LYS 14 1HE LYS 14 4.911 15.743 2.040 98 HZ1 LYS 14 3HZ LYS 14 3.633 18.138 3.246 99 HZ2 LYS 14 1HZ LYS 14 3.613 17.735 1.605 100 HZ3 LYS 14 2HZ LYS 14 5.071 18.125 2.362 101 H GLY 15 H GLY 15 4.145 10.469 3.316 102 HA2 GLY 15 2HA GLY 15 5.507 9.781 5.074 103 HA3 GLY 15 1HA GLY 15 4.396 10.543 6.201 104 H GLU 16 H GLU 16 2.657 8.600 4.120 105 HA GLU 16 HA GLU 16 2.778 6.256 5.908 106 HB2 GLU 16 2HB GLU 16 0.235 7.593 4.949 107 HB3 GLU 16 1HB GLU 16 0.330 6.147 5.946 108 HG2 GLU 16 2HG GLU 16 1.304 7.409 7.761 109 HG3 GLU 16 1HG GLU 16 1.363 8.858 6.762 110 H MET 17 H MET 17 1.664 4.314 4.934 111 HA MET 17 HA MET 17 2.536 4.121 2.152 112 HB2 MET 17 2HB MET 17 1.590 1.925 4.003 113 HB3 MET 17 1HB MET 17 2.381 1.710 2.447 114 HG2 MET 17 2HG MET 17 4.399 2.798 3.372 115 HG3 MET 17 1HG MET 17 3.597 2.875 4.943 116 HE1 MET 17 3HE MET 17 1.939 -0.024 4.403 117 HE2 MET 17 1HE MET 17 2.462 0.571 5.981 118 HE3 MET 17 2HE MET 17 2.934 -1.042 5.448 119 H LYS 18 H LYS 18 1.264 3.342 0.470 120 HA LYS 18 HA LYS 18 -1.641 3.663 0.840 121 HB2 LYS 18 2HB LYS 18 -0.740 5.218 -0.743 122 HB3 LYS 18 1HB LYS 18 0.142 3.949 -1.584 123 HG2 LYS 18 2HG LYS 18 -2.031 2.953 -2.265 124 HG3 LYS 18 1HG LYS 18 -2.848 4.325 -1.519 125 HD2 LYS 18 2HD LYS 18 -1.721 5.860 -3.049 126 HD3 LYS 18 1HD LYS 18 -0.826 4.516 -3.760 127 HE2 LYS 18 2HE LYS 18 -3.040 3.512 -4.409 128 HE3 LYS 18 1HE LYS 18 -3.799 5.015 -3.888 129 HZ1 LYS 18 3HZ LYS 18 -2.486 6.206 -5.529 130 HZ2 LYS 18 1HZ LYS 18 -3.398 4.990 -6.269 131 HZ3 LYS 18 2HZ LYS 18 -1.740 4.767 -6.016 132 H CYS 19 H CYS 19 -2.671 1.779 1.099 133 HA CYS 19 HA CYS 19 -1.815 -0.588 -0.460 134 HB2 CYS 19 2HB CYS 19 -3.617 -0.503 1.977 135 HB3 CYS 19 1HB CYS 19 -2.983 -1.945 1.191 136 H ILE 20 H ILE 20 -3.083 -1.222 -2.125 137 HA ILE 20 HA ILE 20 -5.917 -0.356 -2.136 138 HB ILE 20 HB ILE 20 -5.794 -0.252 -4.611 139 HG12 ILE 20 2HG1 ILE 20 -2.812 -0.610 -4.170 140 HG13 ILE 20 1HG1 ILE 20 -3.883 -1.773 -4.942 141 HG21 ILE 20 1HG2 ILE 20 -5.573 1.782 -3.285 142 HG22 ILE 20 2HG2 ILE 20 -4.572 1.874 -4.736 143 HG23 ILE 20 3HG2 ILE 20 -3.829 1.538 -3.171 144 HD11 ILE 20 3HD1 ILE 20 -4.308 -0.176 -6.744 145 HD12 ILE 20 1HD1 ILE 20 -2.593 -0.552 -6.583 146 HD13 ILE 20 2HD1 ILE 20 -3.219 0.978 -5.970 147 H ASN 21 H ASN 21 -7.462 -1.764 -3.045 148 HA ASN 21 HA ASN 21 -6.629 -4.584 -3.038 149 HB2 ASN 21 2HB ASN 21 -9.033 -5.096 -2.740 150 HB3 ASN 21 1HB ASN 21 -8.407 -4.044 -1.478 151 HD21 ASN 21 1HD2 ASN 21 -10.407 -3.220 -0.962 152 HD22 ASN 21 2HD2 ASN 21 -11.268 -2.146 -1.998 153 H HIS 22 H HIS 22 -8.500 -5.869 -4.470 154 HA HIS 22 HA HIS 22 -7.622 -5.377 -7.155 155 HB2 HIS 22 2HB HIS 22 -9.681 -7.359 -6.157 156 HB3 HIS 22 1HB HIS 22 -8.870 -7.397 -7.722 157 HD1 HIS 22 HD1 HIS 22 -8.334 -8.142 -4.100 158 HD2 HIS 22 HD2 HIS 22 -6.203 -8.322 -7.662 159 HE1 HIS 22 HE1 HIS 22 -6.268 -9.462 -3.578 160 HE2 HIS 22 HE2 HIS 22 -4.912 -9.390 -5.690 161 H TYR 23 H TYR 23 -10.198 -4.142 -5.360 162 HA TYR 23 HA TYR 23 -11.943 -3.640 -7.634 163 HB2 TYR 23 2HB TYR 23 -12.061 -2.939 -4.709 164 HB3 TYR 23 1HB TYR 23 -13.169 -2.206 -5.863 165 HD1 TYR 23 HD1 TYR 23 -11.916 -5.618 -4.940 166 HD2 TYR 23 HD2 TYR 23 -15.226 -3.203 -6.101 167 HE1 TYR 23 HE1 TYR 23 -13.404 -7.558 -4.735 168 HE2 TYR 23 HE2 TYR 23 -16.719 -5.138 -5.893 169 HH TYR 23 HH TYR 23 -15.929 -7.914 -4.296 170 H GLY 24 H GLY 24 -9.494 -1.982 -5.779 171 HA2 GLY 24 2HA GLY 24 -8.412 0.004 -6.710 172 HA3 GLY 24 1HA GLY 24 -9.989 0.522 -7.289 173 H GLY 25 H GLY 25 -10.289 -0.847 -4.255 174 HA2 GLY 25 2HA GLY 25 -10.954 1.530 -2.903 175 HA3 GLY 25 1HA GLY 25 -10.655 -0.027 -2.145 176 H TYR 26 H TYR 26 -9.922 2.488 -1.044 177 HA TYR 26 HA TYR 26 -6.978 2.490 -1.316 178 HB2 TYR 26 2HB TYR 26 -7.872 4.428 -2.435 179 HB3 TYR 26 1HB TYR 26 -8.884 4.824 -1.052 180 HD1 TYR 26 HD2 TYR 26 -5.305 4.487 -2.062 181 HD2 TYR 26 HD1 TYR 26 -8.111 6.323 0.562 182 HE1 TYR 26 HE2 TYR 26 -3.534 5.944 -1.188 183 HE2 TYR 26 HE1 TYR 26 -6.344 7.783 1.440 184 HH TYR 26 HH TYR 26 -3.976 7.920 1.594 185 H LEU 27 H LEU 27 -5.938 2.008 0.526 186 HA LEU 27 HA LEU 27 -7.015 3.029 3.081 187 HB2 LEU 27 2HB LEU 27 -5.824 0.295 2.580 188 HB3 LEU 27 1HB LEU 27 -6.054 0.969 4.183 189 HG LEU 27 HG LEU 27 -8.240 0.309 2.197 190 HD11 LEU 27 1HD1 LEU 27 -7.217 -1.652 3.238 191 HD12 LEU 27 2HD1 LEU 27 -8.866 -1.405 3.812 192 HD13 LEU 27 3HD1 LEU 27 -7.500 -0.957 4.836 193 HD21 LEU 27 3HD2 LEU 27 -8.446 1.425 5.000 194 HD22 LEU 27 1HD2 LEU 27 -9.799 0.899 3.997 195 HD23 LEU 27 2HD2 LEU 27 -8.828 2.289 3.509 196 H CYS 28 H CYS 28 -5.529 3.862 4.516 197 HA CYS 28 HA CYS 28 -2.721 3.987 3.593 198 HB2 CYS 28 2HB CYS 28 -4.271 5.917 5.333 199 HB3 CYS 28 1HB CYS 28 -2.540 6.034 5.026 200 H LEU 29 H LEU 29 -1.247 2.936 4.725 201 HA LEU 29 HA LEU 29 -1.845 2.197 7.521 202 HB2 LEU 29 2HB LEU 29 -0.023 0.869 5.506 203 HB3 LEU 29 1HB LEU 29 -0.141 0.397 7.190 204 HG LEU 29 HG LEU 29 -2.307 0.185 5.095 205 HD11 LEU 29 1HD1 LEU 29 -0.581 -1.537 4.973 206 HD12 LEU 29 2HD1 LEU 29 -2.117 -2.210 5.518 207 HD13 LEU 29 3HD1 LEU 29 -0.823 -1.910 6.679 208 HD21 LEU 29 3HD2 LEU 29 -3.679 -0.839 6.854 209 HD22 LEU 29 1HD2 LEU 29 -3.304 0.847 7.217 210 HD23 LEU 29 2HD2 LEU 29 -2.439 -0.448 8.045 211 HA PRO 30 HA PRO 30 1.438 4.617 9.189 212 HB2 PRO 30 2HB PRO 30 2.708 2.813 10.869 213 HB3 PRO 30 1HB PRO 30 1.228 3.693 11.264 214 HG2 PRO 30 2HG PRO 30 1.551 0.899 10.225 215 HG3 PRO 30 1HG PRO 30 0.464 1.505 11.491 216 HD2 PRO 30 2HD PRO 30 -0.448 1.003 9.028 217 HD3 PRO 30 1HD PRO 30 -1.037 2.408 9.943 218 H ARG 31 H ARG 31 3.743 4.915 9.311 219 HA ARG 31 HA ARG 31 5.077 3.931 6.956 220 HB2 ARG 31 2HB ARG 31 5.149 6.294 7.810 221 HB3 ARG 31 1HB ARG 31 6.134 5.735 9.151 222 HG2 ARG 31 2HG ARG 31 7.873 5.027 7.567 223 HG3 ARG 31 1HG ARG 31 6.881 5.611 6.230 224 HD2 ARG 31 2HD ARG 31 6.978 7.882 7.150 225 HD3 ARG 31 1HD ARG 31 7.956 7.299 8.497 226 HE ARG 31 HE ARG 31 9.344 6.557 6.266 227 HH11 ARG 31 1HH1 ARG 31 8.133 9.544 7.489 228 HH12 ARG 31 2HH1 ARG 31 9.390 10.475 6.755 229 HH21 ARG 31 1HH2 ARG 31 10.937 7.765 5.321 230 HH22 ARG 31 2HH2 ARG 31 10.963 9.479 5.540 231 H SER 32 H SER 32 4.618 2.247 9.566 232 HA SER 32 HA SER 32 7.181 1.747 10.684 233 HB2 SER 32 2HB SER 32 4.704 0.014 10.848 234 HB3 SER 32 1HB SER 32 6.090 -0.027 11.937 235 HG SER 32 HG SER 32 4.477 1.194 12.887 236 H ALA 33 H ALA 33 5.750 0.575 7.797 237 HA ALA 33 HA ALA 33 7.352 -1.890 7.804 238 HB1 ALA 33 3HB ALA 33 4.980 -2.069 7.209 239 HB2 ALA 33 1HB ALA 33 6.031 -2.571 5.885 240 HB3 ALA 33 2HB ALA 33 5.248 -0.992 5.840 241 H ALA 34 H ALA 34 8.699 -2.464 6.012 242 HA ALA 34 HA ALA 34 9.782 -0.138 4.541 243 HB1 ALA 34 3HB ALA 34 11.324 -0.930 6.264 244 HB2 ALA 34 1HB ALA 34 11.981 -1.192 4.648 245 HB3 ALA 34 2HB ALA 34 11.298 -2.545 5.553 246 H VAL 35 H VAL 35 10.368 -0.401 2.375 247 HA VAL 35 HA VAL 35 8.730 -2.252 0.938 248 HB VAL 35 HB VAL 35 9.596 -1.223 -1.090 249 HG11 VAL 35 1HG1 VAL 35 9.023 0.798 1.088 250 HG12 VAL 35 2HG1 VAL 35 7.829 -0.058 0.110 251 HG13 VAL 35 3HG1 VAL 35 8.917 1.104 -0.647 252 HG21 VAL 35 3HG2 VAL 35 11.540 0.231 0.720 253 HG22 VAL 35 1HG2 VAL 35 11.305 0.548 -1.000 254 HG23 VAL 35 2HG2 VAL 35 11.949 -1.004 -0.469 255 H ILE 36 H ILE 36 11.705 -2.779 2.308 256 HA ILE 36 HA ILE 36 12.976 -4.244 0.182 257 HB ILE 36 HB ILE 36 14.523 -5.028 2.099 258 HG12 ILE 36 2HG1 ILE 36 14.525 -3.493 4.074 259 HG13 ILE 36 1HG1 ILE 36 12.993 -2.829 3.528 260 HG21 ILE 36 1HG2 ILE 36 15.731 -2.894 2.062 261 HG22 ILE 36 2HG2 ILE 36 14.302 -2.103 1.397 262 HG23 ILE 36 3HG2 ILE 36 15.137 -3.344 0.462 263 HD11 ILE 36 3HD1 ILE 36 11.922 -4.979 3.874 264 HD12 ILE 36 1HD1 ILE 36 12.722 -4.429 5.347 265 HD13 ILE 36 2HD1 ILE 36 13.466 -5.685 4.357 266 H ASN 37 H ASN 37 10.366 -5.078 1.991 267 HA ASN 37 HA ASN 37 9.291 -6.990 2.555 268 HB2 ASN 37 2HB ASN 37 9.691 -7.633 0.209 269 HB3 ASN 37 1HB ASN 37 11.248 -8.323 0.658 270 HD21 ASN 37 1HD2 ASN 37 7.839 -8.795 0.604 271 HD22 ASN 37 2HD2 ASN 37 7.839 -10.408 1.216 272 H ASP 38 H ASP 38 12.307 -8.751 2.100 273 HA ASP 38 HA ASP 38 13.348 -10.221 3.499 274 HB2 ASP 38 2HB ASP 38 14.500 -8.032 3.833 275 HB3 ASP 38 1HB ASP 38 13.496 -7.762 5.254 276 H LEU 39 H LEU 39 10.910 -11.015 3.769 277 HA LEU 39 HA LEU 39 9.582 -10.807 6.193 278 HB2 LEU 39 2HB LEU 39 8.445 -12.872 5.659 279 HB3 LEU 39 1HB LEU 39 8.602 -11.880 4.232 280 HG LEU 39 HG LEU 39 8.924 -14.085 3.495 281 HD11 LEU 39 1HD1 LEU 39 11.697 -12.964 3.838 282 HD12 LEU 39 2HD1 LEU 39 10.564 -12.577 2.543 283 HD13 LEU 39 3HD1 LEU 39 11.210 -14.211 2.689 284 HD21 LEU 39 3HD2 LEU 39 10.895 -14.563 5.725 285 HD22 LEU 39 1HD2 LEU 39 10.414 -15.721 4.486 286 HD23 LEU 39 2HD2 LEU 39 9.236 -15.155 5.669 287 H HIS 40 H HIS 40 9.458 -12.209 8.066 288 HA HIS 40 HA HIS 40 12.060 -12.912 9.042 289 HB2 HIS 40 2HB HIS 40 10.977 -13.478 11.131 290 HB3 HIS 40 1HB HIS 40 10.299 -11.978 10.520 291 HD1 HIS 40 HD1 HIS 40 7.812 -12.068 9.677 292 HD2 HIS 40 HD2 HIS 40 9.181 -15.584 11.417 293 HE1 HIS 40 HE1 HIS 40 5.759 -13.425 10.152 294 HE2 HIS 40 HE2 HIS 40 6.599 -15.510 11.281 295 H GLY 41 H GLY 41 13.064 -14.849 9.104 296 HA2 GLY 41 2HA GLY 41 11.517 -17.238 8.290 297 HA3 GLY 41 1HA GLY 41 13.048 -16.844 7.530 298 H GLU 42 H GLU 42 12.235 -19.232 9.000 299 HA GLU 42 HA GLU 42 13.741 -19.219 11.486 300 HB2 GLU 42 2HB GLU 42 12.434 -21.516 10.003 301 HB3 GLU 42 1HB GLU 42 12.979 -21.530 11.676 302 HG2 GLU 42 2HG GLU 42 11.266 -20.057 12.358 303 HG3 GLU 42 1HG GLU 42 10.881 -19.610 10.697 304 H GLY 43 H GLY 43 15.040 -18.779 8.802 305 HA2 GLY 43 2HA GLY 43 17.505 -19.672 8.879 306 HA3 GLY 43 1HA GLY 43 16.695 -21.171 8.439 307 HA PRO 44 HA PRO 44 17.414 -19.332 4.336 308 HB2 PRO 44 2HB PRO 44 17.441 -21.638 2.943 309 HB3 PRO 44 1HB PRO 44 18.830 -21.108 3.900 310 HG2 PRO 44 2HG PRO 44 16.714 -23.122 4.583 311 HG3 PRO 44 1HG PRO 44 18.466 -23.207 4.843 312 HD2 PRO 44 2HD PRO 44 16.670 -22.519 6.801 313 HD3 PRO 44 1HD PRO 44 18.362 -21.983 6.786 314 HA PRO 45 HA PRO 45 12.911 -19.370 3.683 315 HB2 PRO 45 2HB PRO 45 12.877 -17.338 1.859 316 HB3 PRO 45 1HB PRO 45 12.981 -17.075 3.603 317 HG2 PRO 45 2HG PRO 45 15.180 -17.098 1.559 318 HG3 PRO 45 1HG PRO 45 14.906 -15.956 2.890 319 HD2 PRO 45 2HD PRO 45 16.712 -17.947 3.074 320 HD3 PRO 45 1HD PRO 45 15.770 -17.406 4.480 321 HA PRO 46 HA PRO 46 12.330 -21.937 0.055 322 HB2 PRO 46 2HB PRO 46 9.903 -20.212 -0.322 323 HB3 PRO 46 1HB PRO 46 10.046 -21.975 -0.347 324 HG2 PRO 46 2HG PRO 46 9.047 -20.758 1.784 325 HG3 PRO 46 1HG PRO 46 10.161 -22.126 1.978 326 HD2 PRO 46 2HD PRO 46 10.674 -19.199 2.336 327 HD3 PRO 46 1HD PRO 46 11.318 -20.579 3.250 328 HA PRO 47 HA PRO 47 13.981 -19.761 -3.386 329 HB2 PRO 47 2HB PRO 47 12.843 -21.052 -5.526 330 HB3 PRO 47 1HB PRO 47 14.153 -21.725 -4.550 331 HG2 PRO 47 2HG PRO 47 11.200 -22.237 -4.367 332 HG3 PRO 47 1HG PRO 47 12.542 -23.399 -4.307 333 HD2 PRO 47 2HD PRO 47 11.313 -22.575 -2.064 334 HD3 PRO 47 1HD PRO 47 13.064 -22.873 -2.096 335 H VAL 48 H VAL 48 12.732 -17.798 -2.751 336 HA VAL 48 HA VAL 48 10.654 -17.128 -4.745 337 HB VAL 48 HB VAL 48 9.876 -15.371 -3.183 338 HG11 VAL 48 1HG1 VAL 48 9.933 -18.148 -1.986 339 HG12 VAL 48 2HG1 VAL 48 8.781 -17.555 -3.183 340 HG13 VAL 48 3HG1 VAL 48 8.799 -16.868 -1.558 341 HG21 VAL 48 3HG2 VAL 48 11.872 -16.587 -1.261 342 HG22 VAL 48 1HG2 VAL 48 10.644 -15.393 -0.839 343 HG23 VAL 48 2HG2 VAL 48 11.943 -14.967 -1.954 344 HA PRO 49 HA PRO 49 13.550 -14.203 -6.446 345 HB2 PRO 49 2HB PRO 49 11.226 -12.807 -7.598 346 HB3 PRO 49 1HB PRO 49 12.539 -13.658 -8.415 347 HG2 PRO 49 2HG PRO 49 10.038 -14.650 -8.350 348 HG3 PRO 49 1HG PRO 49 11.463 -15.705 -8.299 349 HD2 PRO 49 2HD PRO 49 9.701 -14.791 -6.039 350 HD3 PRO 49 1HD PRO 49 10.352 -16.413 -6.377 351 HA PRO 50 HA PRO 50 13.406 -10.729 -3.623 352 HB2 PRO 50 2HB PRO 50 15.224 -9.101 -4.849 353 HB3 PRO 50 1HB PRO 50 15.677 -10.529 -3.912 354 HG2 PRO 50 2HG PRO 50 15.396 -10.231 -6.885 355 HG3 PRO 50 1HG PRO 50 16.677 -11.035 -5.955 356 HD2 PRO 50 2HD PRO 50 14.689 -12.427 -7.131 357 HD3 PRO 50 1HD PRO 50 15.395 -12.929 -5.584 358 H ALA 51 H ALA 51 12.370 -10.571 -6.868 359 HA ALA 51 HA ALA 51 11.616 -7.777 -6.832 360 HB1 ALA 51 3HB ALA 51 12.281 -8.848 -8.933 361 HB2 ALA 51 1HB ALA 51 10.636 -8.212 -9.025 362 HB3 ALA 51 2HB ALA 51 10.903 -9.943 -8.812 363 H GLN 52 H GLN 52 10.436 -8.287 -4.698 364 HA GLN 52 HA GLN 52 7.583 -8.546 -5.300 365 HB2 GLN 52 2HB GLN 52 8.400 -10.831 -4.658 366 HB3 GLN 52 1HB GLN 52 8.903 -10.175 -3.105 367 HG2 GLN 52 2HG GLN 52 6.486 -9.479 -2.768 368 HG3 GLN 52 1HG GLN 52 6.107 -10.468 -4.178 369 HE21 GLN 52 1HE2 GLN 52 7.131 -10.481 -0.869 370 HE22 GLN 52 2HE2 GLN 52 6.920 -12.170 -0.590 371 H HIS 53 H HIS 53 6.211 -7.702 -3.581 372 HA HIS 53 HA HIS 53 7.505 -5.583 -2.044 373 HB2 HIS 53 2HB HIS 53 4.579 -6.283 -2.409 374 HB3 HIS 53 1HB HIS 53 5.175 -4.875 -1.537 375 HD1 HIS 53 HD1 HIS 53 4.734 -6.242 -4.996 376 HD2 HIS 53 HD2 HIS 53 6.068 -2.766 -3.147 377 HE1 HIS 53 HE1 HIS 53 4.881 -4.525 -6.815 378 HE2 HIS 53 HE2 HIS 53 5.514 -2.399 -5.640 379 HA PRO 54 HA PRO 54 7.311 -7.584 1.970 380 HB2 PRO 54 2HB PRO 54 6.334 -5.550 3.554 381 HB3 PRO 54 1HB PRO 54 8.015 -5.677 3.027 382 HG2 PRO 54 2HG PRO 54 5.790 -4.026 1.883 383 HG3 PRO 54 1HG PRO 54 7.488 -3.586 2.164 384 HD2 PRO 54 2HD PRO 54 6.586 -4.240 -0.285 385 HD3 PRO 54 1HD PRO 54 8.220 -4.682 0.253 386 H ASN 55 H ASN 55 4.465 -5.961 0.732 387 HA ASN 55 HA ASN 55 2.240 -6.133 1.107 388 HB2 ASN 55 2HB ASN 55 3.071 -9.024 1.352 389 HB3 ASN 55 1HB ASN 55 1.387 -8.507 1.290 390 HD21 ASN 55 1HD2 ASN 55 0.915 -9.434 -0.641 391 HD22 ASN 55 2HD2 ASN 55 1.596 -8.934 -2.143 392 HA PRO 56 HA PRO 56 2.472 -6.209 5.776 393 HB2 PRO 56 2HB PRO 56 2.300 -3.558 6.206 394 HB3 PRO 56 1HB PRO 56 3.849 -4.341 5.865 395 HG2 PRO 56 2HG PRO 56 2.048 -2.819 4.010 396 HG3 PRO 56 1HG PRO 56 3.812 -2.724 4.183 397 HD2 PRO 56 2HD PRO 56 2.565 -4.161 2.222 398 HD3 PRO 56 1HD PRO 56 4.161 -4.582 2.874 399 H CYS 57 H CYS 57 0.412 -5.172 3.283 400 HA CYS 57 HA CYS 57 -1.649 -3.987 4.945 401 HB2 CYS 57 2HB CYS 57 -1.874 -4.604 1.996 402 HB3 CYS 57 1HB CYS 57 -2.688 -3.340 2.912 403 HA PRO 58 HA PRO 58 -4.302 -7.427 5.777 404 HB2 PRO 58 2HB PRO 58 -6.428 -5.732 4.500 405 HB3 PRO 58 1HB PRO 58 -6.464 -6.615 6.034 406 HG2 PRO 58 2HG PRO 58 -6.079 -3.989 6.024 407 HG3 PRO 58 1HG PRO 58 -5.157 -5.025 7.130 408 HD2 PRO 58 2HD PRO 58 -4.274 -3.674 4.620 409 HD3 PRO 58 1HD PRO 58 -3.360 -4.013 6.102 410 HA PRO 59 HA PRO 59 -4.344 -9.946 2.080 411 HB2 PRO 59 2HB PRO 59 -6.709 -11.173 3.461 412 HB3 PRO 59 1HB PRO 59 -5.314 -11.956 2.709 413 HG2 PRO 59 2HG PRO 59 -5.452 -11.736 5.349 414 HG3 PRO 59 1HG PRO 59 -3.911 -11.487 4.507 415 HD2 PRO 59 2HD PRO 59 -5.755 -9.472 5.721 416 HD3 PRO 59 1HD PRO 59 -3.983 -9.461 5.610 417 H GLY 60 H GLY 60 -5.242 -9.595 0.136 418 HA2 GLY 60 2HA GLY 60 -7.152 -9.274 -1.327 419 HA3 GLY 60 1HA GLY 60 -7.968 -8.446 -0.004 420 H TYR 61 H TYR 61 -5.557 -6.978 0.754 421 HA TYR 61 HA TYR 61 -5.455 -4.974 -1.406 422 HB2 TYR 61 2HB TYR 61 -4.790 -4.722 1.546 423 HB3 TYR 61 1HB TYR 61 -4.628 -3.425 0.366 424 HD1 TYR 61 HD2 TYR 61 -7.110 -5.650 2.020 425 HD2 TYR 61 HD1 TYR 61 -6.483 -2.073 -0.208 426 HE1 TYR 61 HE2 TYR 61 -9.444 -4.993 2.427 427 HE2 TYR 61 HE1 TYR 61 -8.815 -1.410 0.196 428 HH TYR 61 HH TYR 61 -10.764 -2.855 2.514 429 H GLU 62 H GLU 62 -3.398 -4.057 -1.988 430 HA GLU 62 HA GLU 62 -0.994 -5.350 -0.945 431 HB2 GLU 62 2HB GLU 62 -0.112 -5.843 -3.173 432 HB3 GLU 62 1HB GLU 62 -1.616 -6.704 -2.889 433 HG2 GLU 62 2HG GLU 62 -2.796 -4.949 -4.209 434 HG3 GLU 62 1HG GLU 62 -1.223 -4.247 -4.587 435 HA PRO 63 HA PRO 63 0.842 -1.355 -1.062 436 HB2 PRO 63 2HB PRO 63 3.329 -2.538 -2.170 437 HB3 PRO 63 1HB PRO 63 3.070 -1.696 -0.639 438 HG2 PRO 63 2HG PRO 63 3.447 -4.347 -0.697 439 HG3 PRO 63 1HG PRO 63 2.300 -3.605 0.438 440 HD2 PRO 63 2HD PRO 63 1.762 -5.008 -2.165 441 HD3 PRO 63 1HD PRO 63 0.902 -5.142 -0.614 442 H ASP 64 H ASP 64 0.548 0.271 -2.467 443 HA ASP 64 HA ASP 64 0.741 -0.224 -5.352 444 HB2 ASP 64 2HB ASP 64 -1.260 0.921 -4.529 445 HB3 ASP 64 1HB ASP 64 -0.269 2.184 -3.808 446 H ASP 65 H ASP 65 2.304 0.605 -6.665 447 HA ASP 65 HA ASP 65 4.426 2.222 -5.412 448 HB2 ASP 65 2HB ASP 65 4.491 0.854 -8.114 449 HB3 ASP 65 1HB ASP 65 5.851 1.534 -7.229 450 H GLN 66 H GLN 66 3.930 4.371 -5.605 451 HA GLN 66 HA GLN 66 3.527 5.331 -8.366 452 HB2 GLN 66 2HB GLN 66 2.508 7.365 -7.455 453 HB3 GLN 66 1HB GLN 66 1.617 5.926 -6.990 454 HG2 GLN 66 2HG GLN 66 2.629 6.012 -4.766 455 HG3 GLN 66 1HG GLN 66 3.531 7.453 -5.235 456 HE21 GLN 66 1HE2 GLN 66 0.236 6.823 -6.228 457 HE22 GLN 66 2HE2 GLN 66 -0.480 8.093 -5.305 458 H ASP 67 H ASP 67 5.224 6.311 -9.242 459 HA ASP 67 HA ASP 67 7.272 7.462 -7.465 460 HB2 ASP 67 2HB ASP 67 7.508 6.594 -10.359 461 HB3 ASP 67 1HB ASP 67 8.822 7.201 -9.352 462 H SER 68 H SER 68 6.693 9.539 -7.131 463 HA SER 68 HA SER 68 5.293 11.079 -9.111 464 HB2 SER 68 2HB SER 68 5.317 12.888 -7.415 465 HB3 SER 68 1HB SER 68 4.725 11.362 -6.762 466 HG SER 68 HG SER 68 6.563 11.113 -5.621 467 H CYS 69 H CYS 69 6.606 11.436 -10.868 468 HA CYS 69 HA CYS 69 9.032 13.035 -10.494 469 HB2 CYS 69 2HB CYS 69 9.404 12.746 -12.887 470 HB3 CYS 69 1HB CYS 69 9.117 11.188 -12.127 471 H VAL 70 H VAL 70 8.461 15.078 -9.971 472 HA VAL 70 HA VAL 70 6.093 16.364 -10.865 473 HB VAL 70 HB VAL 70 7.255 16.872 -8.722 474 HG11 VAL 70 1HG1 VAL 70 9.559 16.893 -9.503 475 HG12 VAL 70 2HG1 VAL 70 9.162 18.420 -8.716 476 HG13 VAL 70 3HG1 VAL 70 9.237 18.329 -10.476 477 HG21 VAL 70 3HG2 VAL 70 5.569 18.407 -9.607 478 HG22 VAL 70 1HG2 VAL 70 6.813 19.271 -10.509 479 HG23 VAL 70 2HG2 VAL 70 6.833 19.284 -8.745 480 H ASP 71 H ASP 71 5.875 18.281 -12.154 481 HA ASP 71 HA ASP 71 7.911 18.563 -14.268 482 HB2 ASP 71 2HB ASP 71 5.664 17.958 -15.047 483 HB3 ASP 71 1HB ASP 71 4.989 19.376 -14.249
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