NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
609320 | 5ij4 | 30030 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 11 H MET 11 1.808 0.000 0.855 2 HA MET 11 HA MET 11 2.568 0.964 -1.339 3 HB2 MET 11 HB2 MET 11 2.762 -1.966 -0.730 4 HB3 MET 11 HB3 MET 11 3.459 -1.328 -2.214 5 HG2 MET 11 HG2 MET 11 4.612 0.374 -0.627 6 HG3 MET 11 HG3 MET 11 4.245 -0.820 0.616 7 HE1 MET 11 HE1 MET 11 7.430 -0.077 0.005 8 HE2 MET 11 HE2 MET 11 7.962 -0.675 -1.566 9 HE3 MET 11 HE3 MET 11 6.692 0.546 -1.471 10 H LEU 12 H LEU 12 0.747 1.729 -2.513 11 HA LEU 12 HA LEU 12 -0.044 -0.084 -4.659 12 HB2 LEU 12 HB2 LEU 12 -2.412 0.882 -4.432 13 HB3 LEU 12 HB3 LEU 12 -1.917 -0.408 -3.339 14 HG LEU 12 HG LEU 12 -1.411 2.227 -2.225 15 HD11 LEU 12 HD11 LEU 12 -3.979 2.446 -1.772 16 HD12 LEU 12 HD12 LEU 12 -4.114 1.597 -3.311 17 HD13 LEU 12 HD13 LEU 12 -3.262 3.139 -3.227 18 HD21 LEU 12 HD21 LEU 12 -1.909 1.161 -0.312 19 HD22 LEU 12 HD22 LEU 12 -1.775 -0.296 -1.297 20 HD23 LEU 12 HD23 LEU 12 -3.359 0.415 -0.984 21 H ASP 13 H ASP 13 0.473 0.913 -6.479 22 HA ASP 13 HA ASP 13 0.933 2.545 -8.002 23 HB2 ASP 13 HB2 ASP 13 -1.602 3.489 -6.703 24 HB3 ASP 13 HB3 ASP 13 -0.822 4.476 -7.936 25 H VAL 14 H VAL 14 2.800 2.795 -6.277 26 HA VAL 14 HA VAL 14 2.806 5.345 -4.916 27 HB VAL 14 HB VAL 14 5.163 4.754 -4.342 28 HG11 VAL 14 HG11 VAL 14 3.500 2.381 -3.653 29 HG12 VAL 14 HG12 VAL 14 4.530 3.376 -2.622 30 HG13 VAL 14 HG13 VAL 14 2.956 3.978 -3.142 31 HG21 VAL 14 HG21 VAL 14 5.050 3.121 -6.520 32 HG22 VAL 14 HG22 VAL 14 6.264 3.018 -5.245 33 HG23 VAL 14 HG23 VAL 14 4.846 1.970 -5.200 34 H GLY 15 H GLY 15 2.327 6.067 -7.387 35 HA2 GLY 15 HA2 GLY 15 3.257 7.869 -8.636 36 HA3 GLY 15 HA3 GLY 15 4.863 7.268 -8.251 37 H LYS 16 H LYS 16 3.792 7.991 -10.846 38 HA LYS 16 HA LYS 16 3.716 5.383 -12.199 39 HB2 LYS 16 HB2 LYS 16 2.292 7.824 -12.592 40 HB3 LYS 16 HB3 LYS 16 3.272 7.527 -14.022 41 HG2 LYS 16 HG2 LYS 16 2.090 5.689 -14.623 42 HG3 LYS 16 HG3 LYS 16 1.722 5.243 -12.956 43 HD2 LYS 16 HD2 LYS 16 0.485 7.754 -13.611 44 HD3 LYS 16 HD3 LYS 16 0.040 6.527 -14.799 45 HE2 LYS 16 HE2 LYS 16 -0.345 5.054 -12.661 46 HE3 LYS 16 HE3 LYS 16 -0.490 6.619 -11.864 47 HZ1 LYS 16 HZ1 LYS 16 -2.278 5.328 -13.754 48 HZ2 LYS 16 HZ2 LYS 16 -2.071 6.993 -13.965 49 HZ3 LYS 16 HZ3 LYS 16 -2.627 6.391 -12.485 50 H HIS 17 H HIS 17 5.224 4.812 -13.699 51 HA HIS 17 HA HIS 17 7.659 6.411 -13.747 52 HB2 HIS 17 HB2 HIS 17 7.250 3.712 -15.029 53 HB3 HIS 17 HB3 HIS 17 8.768 4.467 -14.551 54 HD1 HIS 17 HD1 HIS 17 5.651 2.997 -12.968 55 HD2 HIS 17 HD2 HIS 17 9.623 3.800 -12.052 56 HE1 HIS 17 HE1 HIS 17 6.043 1.962 -10.710 57 H CYS 18 H CYS 18 8.509 7.373 -15.529 58 HA CYS 18 HA CYS 18 6.885 8.275 -17.567 59 HB2 CYS 18 HB2 CYS 18 9.185 9.130 -16.878 60 HB3 CYS 18 HB3 CYS 18 9.855 7.858 -17.895 61 H ALA 19 H ALA 19 6.603 7.728 -19.740 62 HA ALA 19 HA ALA 19 7.011 4.883 -20.311 63 HB1 ALA 19 HB1 ALA 19 5.461 6.049 -22.343 64 HB2 ALA 19 HB2 ALA 19 4.918 4.993 -21.039 65 HB3 ALA 19 HB3 ALA 19 4.894 6.743 -20.824 66 H TYR 20 H TYR 20 8.947 7.277 -20.628 67 HA TYR 20 HA TYR 20 9.789 6.562 -23.353 68 HB2 TYR 20 HB2 TYR 20 8.726 8.936 -22.984 69 HB3 TYR 20 HB3 TYR 20 10.303 9.318 -22.301 70 HD1 TYR 20 HD1 TYR 20 11.545 10.555 -23.797 71 HD2 TYR 20 HD2 TYR 20 9.207 7.318 -25.267 72 HE1 TYR 20 HE1 TYR 20 12.431 10.949 -26.057 73 HE2 TYR 20 HE2 TYR 20 10.088 7.702 -27.531 74 HH TYR 20 HH TYR 20 11.656 8.788 -28.737 75 H CYS 21 H CYS 21 10.720 7.782 -20.173 76 HA CYS 21 HA CYS 21 13.462 6.828 -20.684 77 HB2 CYS 21 HB2 CYS 21 14.328 8.531 -19.319 78 HB3 CYS 21 HB3 CYS 21 13.072 9.335 -20.256 79 H ARG 22 H ARG 22 10.637 6.388 -18.875 80 HA ARG 22 HA ARG 22 10.072 4.984 -17.178 81 HB2 ARG 22 HB2 ARG 22 12.819 3.796 -17.610 82 HB3 ARG 22 HB3 ARG 22 11.476 3.037 -16.765 83 HG2 ARG 22 HG2 ARG 22 11.010 3.882 -19.563 84 HG3 ARG 22 HG3 ARG 22 12.068 2.496 -19.294 85 HD2 ARG 22 HD2 ARG 22 9.504 2.566 -17.807 86 HD3 ARG 22 HD3 ARG 22 9.424 2.264 -19.543 87 HE ARG 22 HE ARG 22 10.371 0.471 -17.522 88 HH11 ARG 22 HH11 ARG 22 10.651 1.366 -20.875 89 HH12 ARG 22 HH12 ARG 22 11.189 -0.201 -21.383 90 HH21 ARG 22 HH21 ARG 22 11.078 -1.596 -18.178 91 HH22 ARG 22 HH22 ARG 22 11.431 -1.885 -19.849 92 H GLN 23 H GLN 23 10.409 7.155 -16.027 93 HA GLN 23 HA GLN 23 12.427 6.806 -13.908 94 HB2 GLN 23 HB2 GLN 23 13.025 8.743 -15.168 95 HB3 GLN 23 HB3 GLN 23 11.367 9.329 -15.176 96 HG2 GLN 23 HG2 GLN 23 11.556 10.278 -13.158 97 HG3 GLN 23 HG3 GLN 23 12.516 8.950 -12.508 98 HE21 GLN 23 HE21 GLN 23 12.721 12.011 -12.619 99 HE22 GLN 23 HE22 GLN 23 14.365 12.282 -13.076 100 H LEU 24 H LEU 24 11.551 6.275 -12.030 101 HA LEU 24 HA LEU 24 8.790 6.378 -11.487 102 HB2 LEU 24 HB2 LEU 24 10.121 4.762 -10.369 103 HB3 LEU 24 HB3 LEU 24 11.191 6.001 -9.716 104 HG LEU 24 HG LEU 24 8.587 6.554 -8.759 105 HD11 LEU 24 HD11 LEU 24 8.430 4.331 -7.412 106 HD12 LEU 24 HD12 LEU 24 9.294 3.654 -8.792 107 HD13 LEU 24 HD13 LEU 24 7.730 4.434 -9.028 108 HD21 LEU 24 HD21 LEU 24 10.637 7.123 -7.614 109 HD22 LEU 24 HD22 LEU 24 11.045 5.417 -7.430 110 HD23 LEU 24 HD23 LEU 24 9.651 6.088 -6.582 111 H ASP 25 H ASP 25 7.706 8.236 -11.346 112 HA ASP 25 HA ASP 25 8.854 10.388 -9.691 113 HB2 ASP 25 HB2 ASP 25 7.815 10.447 -12.369 114 HB3 ASP 25 HB3 ASP 25 6.819 11.463 -11.331 115 H PHE 26 H PHE 26 7.331 11.682 -8.479 116 HA PHE 26 HA PHE 26 5.222 10.041 -7.356 117 HB2 PHE 26 HB2 PHE 26 5.995 12.841 -6.534 118 HB3 PHE 26 HB3 PHE 26 5.126 11.642 -5.582 119 HD1 PHE 26 HD1 PHE 26 8.404 12.585 -6.955 120 HD2 PHE 26 HD2 PHE 26 6.281 9.945 -4.379 121 HE1 PHE 26 HE1 PHE 26 10.534 11.817 -5.993 122 HE2 PHE 26 HE2 PHE 26 8.407 9.174 -3.411 123 HZ PHE 26 HZ PHE 26 10.538 10.110 -4.217 124 H LEU 27 H LEU 27 5.555 13.063 -9.141 125 HA LEU 27 HA LEU 27 2.623 13.205 -9.364 126 HB2 LEU 27 HB2 LEU 27 4.690 15.200 -8.971 127 HB3 LEU 27 HB3 LEU 27 3.662 15.581 -10.351 128 HG LEU 27 HG LEU 27 2.472 14.927 -7.677 129 HD11 LEU 27 HD11 LEU 27 3.420 16.737 -6.799 130 HD12 LEU 27 HD12 LEU 27 2.427 17.682 -7.908 131 HD13 LEU 27 HD13 LEU 27 4.075 17.243 -8.356 132 HD21 LEU 27 HD21 LEU 27 0.542 15.833 -8.519 133 HD22 LEU 27 HD22 LEU 27 1.240 15.143 -9.985 134 HD23 LEU 27 HD23 LEU 27 1.395 16.871 -9.662 135 HA PRO 28 HA PRO 28 4.015 11.844 -13.533 136 HB2 PRO 28 HB2 PRO 28 1.820 10.314 -13.996 137 HB3 PRO 28 HB3 PRO 28 3.233 9.725 -13.111 138 HG2 PRO 28 HG2 PRO 28 0.629 10.756 -12.053 139 HG3 PRO 28 HG3 PRO 28 1.575 9.353 -11.523 140 HD2 PRO 28 HD2 PRO 28 1.620 11.721 -10.210 141 HD3 PRO 28 HD3 PRO 28 3.029 10.643 -10.284 142 H PHE 29 H PHE 29 3.619 13.078 -15.255 143 HA PHE 29 HA PHE 29 1.321 14.836 -15.274 144 HB2 PHE 29 HB2 PHE 29 3.846 14.605 -16.849 145 HB3 PHE 29 HB3 PHE 29 2.487 15.459 -17.573 146 HD1 PHE 29 HD1 PHE 29 1.809 17.603 -16.787 147 HD2 PHE 29 HD2 PHE 29 4.885 15.443 -14.789 148 HE1 PHE 29 HE1 PHE 29 2.411 19.630 -15.529 149 HE2 PHE 29 HE2 PHE 29 5.491 17.466 -13.527 150 HZ PHE 29 HZ PHE 29 4.253 19.563 -13.896 151 H HIS 30 H HIS 30 -0.556 13.994 -15.917 152 HA HIS 30 HA HIS 30 -0.669 11.881 -17.887 153 HB2 HIS 30 HB2 HIS 30 -2.207 11.748 -16.036 154 HB3 HIS 30 HB3 HIS 30 -2.823 13.363 -16.370 155 HD1 HIS 30 HD1 HIS 30 -3.333 9.832 -17.192 156 HD2 HIS 30 HD2 HIS 30 -4.398 13.513 -18.798 157 HE1 HIS 30 HE1 HIS 30 -5.194 9.346 -18.812 158 H CYS 31 H CYS 31 -0.794 12.194 -20.001 159 HA CYS 31 HA CYS 31 -1.277 14.853 -21.050 160 HB2 CYS 31 HB2 CYS 31 0.417 12.915 -21.837 161 HB3 CYS 31 HB3 CYS 31 -0.945 12.551 -22.892 162 H SER 32 H SER 32 -3.115 15.556 -21.932 163 HA SER 32 HA SER 32 -5.380 13.721 -22.044 164 HB2 SER 32 HB2 SER 32 -5.058 16.478 -21.390 165 HB3 SER 32 HB3 SER 32 -6.129 16.372 -22.787 166 HG SER 32 HG SER 32 -7.329 16.198 -20.887 167 H PHE 33 H PHE 33 -3.115 13.934 -24.068 168 HA PHE 33 HA PHE 33 -4.806 14.352 -26.446 169 HB2 PHE 33 HB2 PHE 33 -1.800 14.532 -26.465 170 HB3 PHE 33 HB3 PHE 33 -2.941 15.140 -27.660 171 HD1 PHE 33 HD1 PHE 33 -4.865 16.567 -25.957 172 HD2 PHE 33 HD2 PHE 33 -0.616 16.402 -25.780 173 HE1 PHE 33 HE1 PHE 33 -4.828 18.774 -24.871 174 HE2 PHE 33 HE2 PHE 33 -0.572 18.608 -24.692 175 HZ PHE 33 HZ PHE 33 -2.680 19.797 -24.235 176 H CYS 34 H CYS 34 -2.076 12.485 -25.149 177 HA CYS 34 HA CYS 34 -2.682 10.356 -27.086 178 HB2 CYS 34 HB2 CYS 34 -0.427 9.508 -26.619 179 HB3 CYS 34 HB3 CYS 34 -0.376 11.186 -27.152 180 H ASN 35 H ASN 35 -2.923 11.206 -23.807 181 HA ASN 35 HA ASN 35 -3.753 10.107 -21.994 182 HB2 ASN 35 HB2 ASN 35 -5.155 9.033 -23.982 183 HB3 ASN 35 HB3 ASN 35 -4.240 7.597 -23.531 184 HD21 ASN 35 HD21 ASN 35 -6.750 9.772 -22.669 185 HD22 ASN 35 HD22 ASN 35 -7.280 8.945 -21.248 186 H GLU 36 H GLU 36 -1.207 10.190 -21.828 187 HA GLU 36 HA GLU 36 -0.422 7.563 -20.842 188 HB2 GLU 36 HB2 GLU 36 1.085 9.103 -22.947 189 HB3 GLU 36 HB3 GLU 36 1.880 7.925 -21.912 190 HG2 GLU 36 HG2 GLU 36 -0.326 6.568 -22.858 191 HG3 GLU 36 HG3 GLU 36 0.202 7.525 -24.240 192 H ASP 37 H ASP 37 1.304 7.628 -19.313 193 HA ASP 37 HA ASP 37 1.506 10.228 -17.981 194 HB2 ASP 37 HB2 ASP 37 1.951 7.396 -17.054 195 HB3 ASP 37 HB3 ASP 37 2.481 8.779 -16.100 196 H PHE 38 H PHE 38 3.437 11.216 -17.527 197 HA PHE 38 HA PHE 38 5.936 9.913 -18.222 198 HB2 PHE 38 HB2 PHE 38 5.115 12.493 -19.571 199 HB3 PHE 38 HB3 PHE 38 6.648 11.652 -19.772 200 HD1 PHE 38 HD1 PHE 38 6.630 9.355 -20.823 201 HD2 PHE 38 HD2 PHE 38 3.265 11.960 -20.893 202 HE1 PHE 38 HE1 PHE 38 5.682 8.074 -22.697 203 HE2 PHE 38 HE2 PHE 38 2.311 10.683 -22.767 204 HZ PHE 38 HZ PHE 38 3.519 8.736 -23.671 205 H CYS 39 H CYS 39 7.636 10.656 -17.053 206 HA CYS 39 HA CYS 39 7.268 12.024 -14.695 207 HB2 CYS 39 HB2 CYS 39 9.623 12.093 -14.475 208 HB3 CYS 39 HB3 CYS 39 9.288 10.657 -15.437 209 H SER 40 H SER 40 8.012 14.135 -13.994 210 HA SER 40 HA SER 40 6.899 16.242 -15.397 211 HB2 SER 40 HB2 SER 40 9.217 16.919 -13.679 212 HB3 SER 40 HB3 SER 40 7.569 17.546 -13.650 213 HG SER 40 HG SER 40 8.624 15.240 -12.446 214 H ASN 41 H ASN 41 10.176 14.976 -15.505 215 HA ASN 41 HA ASN 41 11.395 17.061 -16.925 216 HB2 ASN 41 HB2 ASN 41 12.238 14.679 -15.873 217 HB3 ASN 41 HB3 ASN 41 12.333 14.356 -17.602 218 HD21 ASN 41 HD21 ASN 41 13.819 15.793 -14.944 219 HD22 ASN 41 HD22 ASN 41 15.088 16.614 -15.782 220 H HIS 42 H HIS 42 9.306 14.476 -17.954 221 HA HIS 42 HA HIS 42 9.612 15.376 -20.744 222 HB2 HIS 42 HB2 HIS 42 8.967 12.644 -19.636 223 HB3 HIS 42 HB3 HIS 42 8.696 13.071 -21.323 224 HD2 HIS 42 HD2 HIS 42 11.314 14.159 -22.459 225 HE1 HIS 42 HE1 HIS 42 13.440 11.264 -20.202 226 HE2 HIS 42 HE2 HIS 42 13.545 12.893 -22.121 227 H ARG 43 H ARG 43 7.813 16.273 -18.478 228 HA ARG 43 HA ARG 43 5.185 15.460 -18.857 229 HB2 ARG 43 HB2 ARG 43 4.531 17.568 -17.834 230 HB3 ARG 43 HB3 ARG 43 5.927 16.897 -17.001 231 HG2 ARG 43 HG2 ARG 43 7.355 18.427 -18.403 232 HG3 ARG 43 HG3 ARG 43 5.858 19.205 -18.921 233 HD2 ARG 43 HD2 ARG 43 5.324 19.587 -16.505 234 HD3 ARG 43 HD3 ARG 43 6.939 18.996 -16.117 235 HE ARG 43 HE ARG 43 6.246 21.561 -17.230 236 HH11 ARG 43 HH11 ARG 43 8.757 19.187 -16.805 237 HH12 ARG 43 HH12 ARG 43 10.047 20.325 -17.004 238 HH21 ARG 43 HH21 ARG 43 7.936 23.070 -17.494 239 HH22 ARG 43 HH22 ARG 43 9.580 22.534 -17.395 240 H LEU 44 H LEU 44 7.098 17.827 -20.628 241 HA LEU 44 HA LEU 44 5.125 19.081 -22.107 242 HB2 LEU 44 HB2 LEU 44 7.807 18.286 -23.213 243 HB3 LEU 44 HB3 LEU 44 6.815 19.668 -23.674 244 HG LEU 44 HG LEU 44 8.279 19.313 -21.059 245 HD11 LEU 44 HD11 LEU 44 8.839 20.821 -23.571 246 HD12 LEU 44 HD12 LEU 44 9.931 19.880 -22.556 247 HD13 LEU 44 HD13 LEU 44 9.381 21.468 -22.022 248 HD21 LEU 44 HD21 LEU 44 7.407 21.968 -21.469 249 HD22 LEU 44 HD22 LEU 44 6.917 20.840 -20.204 250 HD23 LEU 44 HD23 LEU 44 6.015 20.915 -21.718 251 H LYS 45 H LYS 45 4.767 18.800 -24.511 252 HA LYS 45 HA LYS 45 3.715 16.177 -24.969 253 HB2 LYS 45 HB2 LYS 45 3.425 18.807 -26.113 254 HB3 LYS 45 HB3 LYS 45 3.671 17.620 -27.388 255 HG2 LYS 45 HG2 LYS 45 1.842 16.321 -25.921 256 HG3 LYS 45 HG3 LYS 45 1.396 17.988 -25.549 257 HD2 LYS 45 HD2 LYS 45 1.761 16.922 -28.346 258 HD3 LYS 45 HD3 LYS 45 0.204 17.009 -27.518 259 HE2 LYS 45 HE2 LYS 45 1.999 19.388 -27.964 260 HE3 LYS 45 HE3 LYS 45 0.703 18.923 -29.065 261 HZ1 LYS 45 HZ1 LYS 45 0.037 20.643 -27.462 262 HZ2 LYS 45 HZ2 LYS 45 0.322 19.565 -26.191 263 HZ3 LYS 45 HZ3 LYS 45 -0.895 19.238 -27.320 264 H GLU 46 H GLU 46 6.036 18.143 -26.842 265 HA GLU 46 HA GLU 46 6.905 16.134 -28.546 266 HB2 GLU 46 HB2 GLU 46 8.864 17.514 -28.958 267 HB3 GLU 46 HB3 GLU 46 7.427 18.522 -28.850 268 HG2 GLU 46 HG2 GLU 46 8.051 18.973 -26.460 269 HG3 GLU 46 HG3 GLU 46 9.584 18.168 -26.789 270 H ASP 47 H ASP 47 7.768 16.789 -25.237 271 HA ASP 47 HA ASP 47 10.178 15.496 -24.955 272 HB2 ASP 47 HB2 ASP 47 7.844 15.935 -23.158 273 HB3 ASP 47 HB3 ASP 47 9.071 14.784 -22.636 274 H HIS 48 H HIS 48 6.950 14.016 -24.658 275 HA HIS 48 HA HIS 48 8.176 11.365 -24.819 276 HB2 HIS 48 HB2 HIS 48 5.948 10.523 -24.188 277 HB3 HIS 48 HB3 HIS 48 6.546 11.710 -23.033 278 HD1 HIS 48 HD1 HIS 48 5.115 13.731 -22.621 279 HD2 HIS 48 HD2 HIS 48 3.871 11.537 -25.923 280 HE1 HIS 48 HE1 HIS 48 2.917 14.741 -23.310 281 H HIS 49 H HIS 49 7.788 13.336 -27.092 282 HA HIS 49 HA HIS 49 7.141 13.348 -29.280 283 HB2 HIS 49 HB2 HIS 49 7.717 10.466 -28.691 284 HB3 HIS 49 HB3 HIS 49 7.098 10.922 -30.276 285 HD1 HIS 49 HD1 HIS 49 9.001 10.970 -31.843 286 HD2 HIS 49 HD2 HIS 49 10.018 12.557 -28.141 287 HE1 HIS 49 HE1 HIS 49 11.376 11.760 -32.080 288 H CYS 50 H CYS 50 4.990 13.890 -27.910 289 HA CYS 50 HA CYS 50 2.825 12.182 -27.859 290 HB2 CYS 50 HB2 CYS 50 3.043 14.607 -26.998 291 HB3 CYS 50 HB3 CYS 50 2.520 15.079 -28.612 292 H ARG 51 H ARG 51 1.633 11.202 -29.353 293 HA ARG 51 HA ARG 51 2.210 11.197 -32.057 294 HB2 ARG 51 HB2 ARG 51 -0.069 10.173 -32.340 295 HB3 ARG 51 HB3 ARG 51 0.945 9.399 -31.129 296 HG2 ARG 51 HG2 ARG 51 -0.272 10.421 -29.351 297 HG3 ARG 51 HG3 ARG 51 -1.168 11.439 -30.480 298 HD2 ARG 51 HD2 ARG 51 -1.723 8.975 -31.459 299 HD3 ARG 51 HD3 ARG 51 -1.564 8.619 -29.739 300 HE ARG 51 HE ARG 51 -3.213 10.887 -30.149 301 HH11 ARG 51 HH11 ARG 51 -3.193 7.414 -30.395 302 HH12 ARG 51 HH12 ARG 51 -4.902 7.257 -30.158 303 HH21 ARG 51 HH21 ARG 51 -5.464 10.693 -29.836 304 HH22 ARG 51 HH22 ARG 51 -6.193 9.123 -29.841 305 H TRP 52 H TRP 52 -0.016 13.233 -30.258 306 HA TRP 52 HA TRP 52 -1.425 14.346 -32.404 307 HB2 TRP 52 HB2 TRP 52 -1.908 14.573 -29.907 308 HB3 TRP 52 HB3 TRP 52 -0.696 15.851 -29.894 309 HD1 TRP 52 HD1 TRP 52 -4.276 15.142 -30.894 310 HE1 TRP 52 HE1 TRP 52 -5.387 17.329 -31.674 311 HE3 TRP 52 HE3 TRP 52 -0.135 18.134 -31.084 312 HZ2 TRP 52 HZ2 TRP 52 -4.611 19.972 -32.289 313 HZ3 TRP 52 HZ3 TRP 52 -0.405 20.479 -31.778 314 HH2 TRP 52 HH2 TRP 52 -2.597 21.377 -32.369 315 H LEU 53 H LEU 53 1.631 15.296 -30.900 316 HA LEU 53 HA LEU 53 1.996 17.687 -32.349 317 HB2 LEU 53 HB2 LEU 53 3.524 16.028 -30.538 318 HB3 LEU 53 HB3 LEU 53 4.536 16.678 -31.826 319 HG LEU 53 HG LEU 53 2.869 18.273 -29.881 320 HD11 LEU 53 HD11 LEU 53 4.912 18.952 -28.902 321 HD12 LEU 53 HD12 LEU 53 5.860 18.204 -30.187 322 HD13 LEU 53 HD13 LEU 53 4.984 17.194 -29.036 323 HD21 LEU 53 HD21 LEU 53 4.580 20.003 -31.139 324 HD22 LEU 53 HD22 LEU 53 2.864 19.815 -31.498 325 HD23 LEU 53 HD23 LEU 53 4.066 18.948 -32.455 326 H LEU 54 H LEU 54 3.003 14.354 -32.974 327 HA LEU 54 HA LEU 54 4.483 14.964 -35.327 328 HB2 LEU 54 HB2 LEU 54 3.235 12.295 -34.812 329 HB3 LEU 54 HB3 LEU 54 4.775 12.673 -35.580 330 HG LEU 54 HG LEU 54 4.148 12.819 -32.633 331 HD11 LEU 54 HD11 LEU 54 4.515 10.563 -33.797 332 HD12 LEU 54 HD12 LEU 54 5.483 10.928 -32.369 333 HD13 LEU 54 HD13 LEU 54 6.190 11.085 -33.977 334 HD21 LEU 54 HD21 LEU 54 5.786 14.322 -32.522 335 HD22 LEU 54 HD22 LEU 54 6.207 14.098 -34.220 336 HD23 LEU 54 HD23 LEU 54 6.885 13.026 -32.994 337 H GLU 55 H GLU 55 1.150 14.053 -34.679 338 HA GLU 55 HA GLU 55 0.326 13.441 -37.272 339 HB2 GLU 55 HB2 GLU 55 -0.904 13.881 -34.741 340 HB3 GLU 55 HB3 GLU 55 -1.784 14.818 -35.940 341 HG2 GLU 55 HG2 GLU 55 -1.130 11.933 -36.394 342 HG3 GLU 55 HG3 GLU 55 -2.547 12.423 -35.468 343 H HIS 56 H HIS 56 0.706 16.540 -35.657 344 HA HIS 56 HA HIS 56 0.199 17.867 -38.237 345 HB2 HIS 56 HB2 HIS 56 -0.687 18.695 -35.478 346 HB3 HIS 56 HB3 HIS 56 -0.583 19.846 -36.807 347 HD1 HIS 56 HD1 HIS 56 -1.890 18.574 -39.095 348 HD2 HIS 56 HD2 HIS 56 -3.260 17.950 -35.222 349 HE1 HIS 56 HE1 HIS 56 -4.284 17.842 -39.338 350 H GLU 57 H GLU 57 2.475 17.767 -38.612 351 HA GLU 57 HA GLU 57 4.004 19.700 -36.996 352 HB2 GLU 57 HB2 GLU 57 6.040 18.394 -37.723 353 HB3 GLU 57 HB3 GLU 57 4.976 17.572 -36.591 354 HG2 GLU 57 HG2 GLU 57 4.715 15.880 -37.986 355 HG3 GLU 57 HG3 GLU 57 4.174 16.964 -39.267 356 H GLU 58 H GLU 58 3.732 21.499 -38.242 357 HA GLU 58 HA GLU 58 4.878 21.374 -40.948 358 HB2 GLU 58 HB2 GLU 58 3.205 22.868 -41.801 359 HB3 GLU 58 HB3 GLU 58 2.385 21.523 -41.020 360 HG2 GLU 58 HG2 GLU 58 2.647 23.387 -39.002 361 HG3 GLU 58 HG3 GLU 58 2.288 24.356 -40.429 362 H VAL 59 H VAL 59 6.042 23.179 -41.619 363 HA VAL 59 HA VAL 59 7.440 24.960 -41.382 364 HB VAL 59 HB VAL 59 5.390 25.893 -39.368 365 HG11 VAL 59 HG11 VAL 59 7.149 27.297 -38.946 366 HG12 VAL 59 HG12 VAL 59 7.791 27.164 -40.584 367 HG13 VAL 59 HG13 VAL 59 6.371 28.162 -40.271 368 HG21 VAL 59 HG21 VAL 59 5.266 25.612 -42.211 369 HG22 VAL 59 HG22 VAL 59 4.034 26.208 -41.099 370 HG23 VAL 59 HG23 VAL 59 5.214 27.323 -41.788 Start of MODEL 2 1 H MET 11 H MET 11 -2.549 -1.721 -1.867 2 HA MET 11 HA MET 11 -0.024 -0.617 -1.394 3 HB2 MET 11 HB2 MET 11 0.146 -0.358 -3.803 4 HB3 MET 11 HB3 MET 11 -0.614 -1.896 -3.419 5 HG2 MET 11 HG2 MET 11 -2.812 -0.429 -3.693 6 HG3 MET 11 HG3 MET 11 -1.736 0.505 -4.730 7 HE1 MET 11 HE1 MET 11 -4.176 -1.992 -6.852 8 HE2 MET 11 HE2 MET 11 -4.495 -1.689 -5.144 9 HE3 MET 11 HE3 MET 11 -4.064 -0.352 -6.212 10 H LEU 12 H LEU 12 0.821 1.459 -2.137 11 HA LEU 12 HA LEU 12 -1.124 3.635 -2.274 12 HB2 LEU 12 HB2 LEU 12 1.218 3.828 -0.409 13 HB3 LEU 12 HB3 LEU 12 -0.191 4.880 -0.515 14 HG LEU 12 HG LEU 12 -0.356 2.020 0.410 15 HD11 LEU 12 HD11 LEU 12 -0.253 4.423 2.209 16 HD12 LEU 12 HD12 LEU 12 1.181 3.479 1.808 17 HD13 LEU 12 HD13 LEU 12 -0.169 2.716 2.647 18 HD21 LEU 12 HD21 LEU 12 -2.252 4.026 1.377 19 HD22 LEU 12 HD22 LEU 12 -2.536 2.403 0.747 20 HD23 LEU 12 HD23 LEU 12 -2.317 3.755 -0.365 21 H ASP 13 H ASP 13 0.629 5.760 -2.116 22 HA ASP 13 HA ASP 13 2.032 7.015 -3.394 23 HB2 ASP 13 HB2 ASP 13 3.533 4.524 -4.148 24 HB3 ASP 13 HB3 ASP 13 4.155 6.148 -3.867 25 H VAL 14 H VAL 14 0.679 7.664 -5.016 26 HA VAL 14 HA VAL 14 0.136 5.942 -7.277 27 HB VAL 14 HB VAL 14 -1.101 7.922 -8.169 28 HG11 VAL 14 HG11 VAL 14 -2.922 7.288 -7.023 29 HG12 VAL 14 HG12 VAL 14 -1.830 6.146 -6.235 30 HG13 VAL 14 HG13 VAL 14 -2.202 7.689 -5.464 31 HG21 VAL 14 HG21 VAL 14 -1.036 9.961 -7.224 32 HG22 VAL 14 HG22 VAL 14 -1.011 9.314 -5.584 33 HG23 VAL 14 HG23 VAL 14 0.479 9.394 -6.523 34 H GLY 15 H GLY 15 2.755 6.067 -7.301 35 HA2 GLY 15 HA2 GLY 15 3.636 8.295 -8.975 36 HA3 GLY 15 HA3 GLY 15 4.665 7.068 -8.252 37 H LYS 16 H LYS 16 3.664 8.195 -11.111 38 HA LYS 16 HA LYS 16 3.507 5.558 -12.397 39 HB2 LYS 16 HB2 LYS 16 2.158 8.030 -12.844 40 HB3 LYS 16 HB3 LYS 16 3.126 7.674 -14.269 41 HG2 LYS 16 HG2 LYS 16 1.246 6.562 -14.851 42 HG3 LYS 16 HG3 LYS 16 2.031 5.276 -13.931 43 HD2 LYS 16 HD2 LYS 16 0.273 5.206 -12.573 44 HD3 LYS 16 HD3 LYS 16 0.605 6.870 -12.084 45 HE2 LYS 16 HE2 LYS 16 -1.008 7.728 -13.429 46 HE3 LYS 16 HE3 LYS 16 -0.778 6.499 -14.671 47 HZ1 LYS 16 HZ1 LYS 16 -1.984 5.790 -12.076 48 HZ2 LYS 16 HZ2 LYS 16 -2.139 5.012 -13.570 49 HZ3 LYS 16 HZ3 LYS 16 -2.930 6.482 -13.297 50 H HIS 17 H HIS 17 5.039 4.865 -13.794 51 HA HIS 17 HA HIS 17 7.519 6.363 -13.896 52 HB2 HIS 17 HB2 HIS 17 6.982 3.707 -15.217 53 HB3 HIS 17 HB3 HIS 17 8.528 4.372 -14.700 54 HD1 HIS 17 HD1 HIS 17 5.319 3.014 -13.211 55 HD2 HIS 17 HD2 HIS 17 9.296 3.645 -12.186 56 HE1 HIS 17 HE1 HIS 17 5.614 1.927 -10.962 57 H CYS 18 H CYS 18 8.362 7.372 -15.636 58 HA CYS 18 HA CYS 18 6.777 8.314 -17.687 59 HB2 CYS 18 HB2 CYS 18 9.049 9.173 -16.968 60 HB3 CYS 18 HB3 CYS 18 9.756 7.880 -17.932 61 H ALA 19 H ALA 19 6.371 7.733 -19.791 62 HA ALA 19 HA ALA 19 6.831 4.919 -20.423 63 HB1 ALA 19 HB1 ALA 19 4.715 6.785 -20.912 64 HB2 ALA 19 HB2 ALA 19 5.279 6.108 -22.440 65 HB3 ALA 19 HB3 ALA 19 4.738 5.037 -21.148 66 H TYR 20 H TYR 20 8.813 7.243 -20.690 67 HA TYR 20 HA TYR 20 9.613 6.608 -23.449 68 HB2 TYR 20 HB2 TYR 20 8.620 8.966 -23.092 69 HB3 TYR 20 HB3 TYR 20 10.119 9.316 -22.239 70 HD1 TYR 20 HD1 TYR 20 12.198 9.563 -23.430 71 HD2 TYR 20 HD2 TYR 20 8.634 8.513 -25.504 72 HE1 TYR 20 HE1 TYR 20 13.304 10.060 -25.570 73 HE2 TYR 20 HE2 TYR 20 9.731 9.006 -27.650 74 HH TYR 20 HH TYR 20 12.434 9.017 -28.375 75 H CYS 21 H CYS 21 10.613 7.715 -20.244 76 HA CYS 21 HA CYS 21 13.315 6.680 -20.805 77 HB2 CYS 21 HB2 CYS 21 14.242 8.304 -19.366 78 HB3 CYS 21 HB3 CYS 21 13.043 9.177 -20.316 79 H ARG 22 H ARG 22 10.505 6.375 -18.899 80 HA ARG 22 HA ARG 22 9.906 4.903 -17.270 81 HB2 ARG 22 HB2 ARG 22 12.612 3.609 -17.554 82 HB3 ARG 22 HB3 ARG 22 11.107 2.875 -17.015 83 HG2 ARG 22 HG2 ARG 22 10.570 3.816 -19.581 84 HG3 ARG 22 HG3 ARG 22 12.186 3.112 -19.671 85 HD2 ARG 22 HD2 ARG 22 11.151 1.124 -18.400 86 HD3 ARG 22 HD3 ARG 22 9.601 1.811 -18.886 87 HE ARG 22 HE ARG 22 9.967 1.007 -20.987 88 HH11 ARG 22 HH11 ARG 22 13.016 1.178 -19.316 89 HH12 ARG 22 HH12 ARG 22 13.905 0.408 -20.589 90 HH21 ARG 22 HH21 ARG 22 11.126 -0.008 -22.670 91 HH22 ARG 22 HH22 ARG 22 12.829 -0.265 -22.496 92 H GLN 23 H GLN 23 10.361 7.085 -16.120 93 HA GLN 23 HA GLN 23 12.330 6.601 -13.981 94 HB2 GLN 23 HB2 GLN 23 13.069 8.501 -15.215 95 HB3 GLN 23 HB3 GLN 23 11.451 9.187 -15.258 96 HG2 GLN 23 HG2 GLN 23 11.539 9.557 -12.848 97 HG3 GLN 23 HG3 GLN 23 13.159 8.864 -12.801 98 HE21 GLN 23 HE21 GLN 23 12.633 11.398 -11.860 99 HE22 GLN 23 HE22 GLN 23 13.398 12.559 -12.885 100 H LEU 24 H LEU 24 11.366 6.062 -12.147 101 HA LEU 24 HA LEU 24 8.626 6.343 -11.623 102 HB2 LEU 24 HB2 LEU 24 10.341 4.771 -10.554 103 HB3 LEU 24 HB3 LEU 24 10.724 6.120 -9.487 104 HG LEU 24 HG LEU 24 7.925 5.060 -9.727 105 HD11 LEU 24 HD11 LEU 24 8.284 3.358 -8.278 106 HD12 LEU 24 HD12 LEU 24 9.623 4.174 -7.473 107 HD13 LEU 24 HD13 LEU 24 9.880 3.384 -9.028 108 HD21 LEU 24 HD21 LEU 24 7.629 6.871 -8.446 109 HD22 LEU 24 HD22 LEU 24 9.352 7.027 -8.102 110 HD23 LEU 24 HD23 LEU 24 8.363 5.906 -7.166 111 H ASP 25 H ASP 25 7.604 8.224 -11.436 112 HA ASP 25 HA ASP 25 8.862 10.337 -9.811 113 HB2 ASP 25 HB2 ASP 25 7.628 10.421 -12.457 114 HB3 ASP 25 HB3 ASP 25 6.950 11.612 -11.351 115 H PHE 26 H PHE 26 7.399 11.707 -8.601 116 HA PHE 26 HA PHE 26 5.244 10.157 -7.438 117 HB2 PHE 26 HB2 PHE 26 6.122 12.940 -6.663 118 HB3 PHE 26 HB3 PHE 26 5.220 11.786 -5.686 119 HD1 PHE 26 HD1 PHE 26 8.517 12.592 -7.100 120 HD2 PHE 26 HD2 PHE 26 6.323 10.066 -4.468 121 HE1 PHE 26 HE1 PHE 26 10.627 11.761 -6.143 122 HE2 PHE 26 HE2 PHE 26 8.429 9.232 -3.507 123 HZ PHE 26 HZ PHE 26 10.584 10.079 -4.345 124 H LEU 27 H LEU 27 5.663 13.146 -9.262 125 HA LEU 27 HA LEU 27 2.735 13.376 -9.470 126 HB2 LEU 27 HB2 LEU 27 3.361 15.739 -10.297 127 HB3 LEU 27 HB3 LEU 27 3.434 15.382 -8.573 128 HG LEU 27 HG LEU 27 5.960 14.987 -10.022 129 HD11 LEU 27 HD11 LEU 27 6.248 17.599 -9.737 130 HD12 LEU 27 HD12 LEU 27 4.515 17.581 -10.060 131 HD13 LEU 27 HD13 LEU 27 5.638 16.890 -11.232 132 HD21 LEU 27 HD21 LEU 27 6.828 16.157 -8.044 133 HD22 LEU 27 HD22 LEU 27 5.803 14.789 -7.609 134 HD23 LEU 27 HD23 LEU 27 5.175 16.434 -7.494 135 HA PRO 28 HA PRO 28 4.094 11.958 -13.637 136 HB2 PRO 28 HB2 PRO 28 1.882 10.446 -14.075 137 HB3 PRO 28 HB3 PRO 28 3.295 9.849 -13.196 138 HG2 PRO 28 HG2 PRO 28 0.708 10.911 -12.127 139 HG3 PRO 28 HG3 PRO 28 1.645 9.502 -11.595 140 HD2 PRO 28 HD2 PRO 28 1.720 11.877 -10.297 141 HD3 PRO 28 HD3 PRO 28 3.119 10.786 -10.374 142 H PHE 29 H PHE 29 3.698 13.185 -15.363 143 HA PHE 29 HA PHE 29 1.433 14.980 -15.376 144 HB2 PHE 29 HB2 PHE 29 3.920 14.666 -16.997 145 HB3 PHE 29 HB3 PHE 29 2.565 15.536 -17.709 146 HD1 PHE 29 HD1 PHE 29 1.963 17.712 -16.963 147 HD2 PHE 29 HD2 PHE 29 5.004 15.511 -14.958 148 HE1 PHE 29 HE1 PHE 29 2.634 19.747 -15.754 149 HE2 PHE 29 HE2 PHE 29 5.679 17.542 -13.745 150 HZ PHE 29 HZ PHE 29 4.493 19.664 -14.142 151 H HIS 30 H HIS 30 -0.480 14.324 -16.084 152 HA HIS 30 HA HIS 30 -0.688 12.124 -17.970 153 HB2 HIS 30 HB2 HIS 30 -2.209 12.070 -16.105 154 HB3 HIS 30 HB3 HIS 30 -2.767 13.704 -16.448 155 HD1 HIS 30 HD1 HIS 30 -3.320 10.168 -17.347 156 HD2 HIS 30 HD2 HIS 30 -4.471 13.911 -18.736 157 HE1 HIS 30 HE1 HIS 30 -5.247 9.743 -18.907 158 H CYS 31 H CYS 31 -0.791 12.418 -20.087 159 HA CYS 31 HA CYS 31 -1.226 15.071 -21.172 160 HB2 CYS 31 HB2 CYS 31 0.424 13.077 -21.933 161 HB3 CYS 31 HB3 CYS 31 -0.943 12.749 -22.993 162 H SER 32 H SER 32 -3.051 15.795 -22.064 163 HA SER 32 HA SER 32 -5.350 14.001 -22.148 164 HB2 SER 32 HB2 SER 32 -5.187 16.489 -21.179 165 HB3 SER 32 HB3 SER 32 -5.618 16.885 -22.843 166 HG SER 32 HG SER 32 -7.422 16.556 -21.364 167 H PHE 33 H PHE 33 -3.080 14.149 -24.177 168 HA PHE 33 HA PHE 33 -4.766 14.557 -26.560 169 HB2 PHE 33 HB2 PHE 33 -1.757 14.695 -26.576 170 HB3 PHE 33 HB3 PHE 33 -2.886 15.292 -27.788 171 HD1 PHE 33 HD1 PHE 33 -4.801 16.765 -26.094 172 HD2 PHE 33 HD2 PHE 33 -0.552 16.576 -25.951 173 HE1 PHE 33 HE1 PHE 33 -4.741 18.992 -25.052 174 HE2 PHE 33 HE2 PHE 33 -0.484 18.803 -24.908 175 HZ PHE 33 HZ PHE 33 -2.580 20.015 -24.458 176 H CYS 34 H CYS 34 -2.062 12.669 -25.239 177 HA CYS 34 HA CYS 34 -2.702 10.522 -27.144 178 HB2 CYS 34 HB2 CYS 34 -0.460 9.647 -26.668 179 HB3 CYS 34 HB3 CYS 34 -0.382 11.318 -27.217 180 H ASN 35 H ASN 35 -2.921 11.421 -23.875 181 HA ASN 35 HA ASN 35 -3.760 10.361 -22.043 182 HB2 ASN 35 HB2 ASN 35 -5.202 9.301 -24.007 183 HB3 ASN 35 HB3 ASN 35 -4.313 7.849 -23.556 184 HD21 ASN 35 HD21 ASN 35 -5.940 6.717 -22.649 185 HD22 ASN 35 HD22 ASN 35 -6.795 7.213 -21.232 186 H GLU 36 H GLU 36 -1.212 10.388 -21.891 187 HA GLU 36 HA GLU 36 -0.483 7.755 -20.880 188 HB2 GLU 36 HB2 GLU 36 1.047 9.234 -23.011 189 HB3 GLU 36 HB3 GLU 36 1.821 8.051 -21.967 190 HG2 GLU 36 HG2 GLU 36 -0.420 6.732 -22.882 191 HG3 GLU 36 HG3 GLU 36 0.118 7.662 -24.280 192 H ASP 37 H ASP 37 1.262 7.798 -19.368 193 HA ASP 37 HA ASP 37 1.526 10.405 -18.061 194 HB2 ASP 37 HB2 ASP 37 2.335 7.706 -16.972 195 HB3 ASP 37 HB3 ASP 37 2.128 9.206 -16.072 196 H PHE 38 H PHE 38 3.476 11.364 -17.639 197 HA PHE 38 HA PHE 38 5.946 10.008 -18.342 198 HB2 PHE 38 HB2 PHE 38 5.163 12.590 -19.709 199 HB3 PHE 38 HB3 PHE 38 6.675 11.713 -19.919 200 HD1 PHE 38 HD1 PHE 38 6.584 9.395 -20.931 201 HD2 PHE 38 HD2 PHE 38 3.298 12.098 -21.020 202 HE1 PHE 38 HE1 PHE 38 5.587 8.116 -22.782 203 HE2 PHE 38 HE2 PHE 38 2.295 10.824 -22.871 204 HZ PHE 38 HZ PHE 38 3.439 8.830 -23.753 205 H CYS 39 H CYS 39 7.647 10.703 -17.160 206 HA CYS 39 HA CYS 39 7.320 12.127 -14.832 207 HB2 CYS 39 HB2 CYS 39 9.678 12.127 -14.607 208 HB3 CYS 39 HB3 CYS 39 9.295 10.681 -15.536 209 H SER 40 H SER 40 8.190 14.222 -14.173 210 HA SER 40 HA SER 40 7.127 16.346 -15.594 211 HB2 SER 40 HB2 SER 40 7.776 16.389 -13.180 212 HB3 SER 40 HB3 SER 40 9.464 16.507 -13.677 213 HG SER 40 HG SER 40 9.042 18.489 -14.592 214 H ASN 41 H ASN 41 10.337 14.934 -15.754 215 HA ASN 41 HA ASN 41 11.598 16.958 -17.244 216 HB2 ASN 41 HB2 ASN 41 12.274 14.397 -16.250 217 HB3 ASN 41 HB3 ASN 41 12.615 14.373 -17.977 218 HD21 ASN 41 HD21 ASN 41 12.854 16.905 -15.507 219 HD22 ASN 41 HD22 ASN 41 14.522 17.257 -15.786 220 H HIS 42 H HIS 42 9.408 14.419 -18.148 221 HA HIS 42 HA HIS 42 9.695 15.213 -20.972 222 HB2 HIS 42 HB2 HIS 42 9.021 12.527 -19.773 223 HB3 HIS 42 HB3 HIS 42 8.732 12.909 -21.468 224 HD2 HIS 42 HD2 HIS 42 11.327 13.859 -22.718 225 HE1 HIS 42 HE1 HIS 42 13.479 11.092 -20.327 226 HE2 HIS 42 HE2 HIS 42 13.553 12.593 -22.350 227 H ARG 43 H ARG 43 7.954 16.214 -18.708 228 HA ARG 43 HA ARG 43 5.300 15.426 -19.060 229 HB2 ARG 43 HB2 ARG 43 4.699 17.567 -18.034 230 HB3 ARG 43 HB3 ARG 43 6.040 16.813 -17.184 231 HG2 ARG 43 HG2 ARG 43 7.529 18.302 -18.671 232 HG3 ARG 43 HG3 ARG 43 6.048 19.219 -18.957 233 HD2 ARG 43 HD2 ARG 43 5.963 20.008 -16.829 234 HD3 ARG 43 HD3 ARG 43 6.689 18.553 -16.146 235 HE ARG 43 HE ARG 43 8.749 19.531 -16.345 236 HH11 ARG 43 HH11 ARG 43 6.456 21.295 -18.282 237 HH12 ARG 43 HH12 ARG 43 7.558 22.581 -18.649 238 HH21 ARG 43 HH21 ARG 43 10.209 21.218 -16.820 239 HH22 ARG 43 HH22 ARG 43 9.693 22.536 -17.818 240 H LEU 44 H LEU 44 7.234 17.821 -20.783 241 HA LEU 44 HA LEU 44 5.286 19.116 -22.245 242 HB2 LEU 44 HB2 LEU 44 7.961 18.283 -23.344 243 HB3 LEU 44 HB3 LEU 44 6.984 19.665 -23.835 244 HG LEU 44 HG LEU 44 8.386 19.344 -21.182 245 HD11 LEU 44 HD11 LEU 44 9.443 20.051 -23.647 246 HD12 LEU 44 HD12 LEU 44 10.156 20.358 -22.063 247 HD13 LEU 44 HD13 LEU 44 9.155 21.589 -22.833 248 HD21 LEU 44 HD21 LEU 44 7.703 21.630 -20.756 249 HD22 LEU 44 HD22 LEU 44 6.287 20.615 -21.028 250 HD23 LEU 44 HD23 LEU 44 6.859 21.691 -22.304 251 H LYS 45 H LYS 45 4.789 18.876 -24.585 252 HA LYS 45 HA LYS 45 3.718 16.289 -25.093 253 HB2 LYS 45 HB2 LYS 45 3.469 18.933 -26.186 254 HB3 LYS 45 HB3 LYS 45 3.720 17.783 -27.493 255 HG2 LYS 45 HG2 LYS 45 1.862 16.476 -26.028 256 HG3 LYS 45 HG3 LYS 45 1.414 18.155 -25.716 257 HD2 LYS 45 HD2 LYS 45 1.850 17.007 -28.470 258 HD3 LYS 45 HD3 LYS 45 0.272 17.125 -27.689 259 HE2 LYS 45 HE2 LYS 45 2.087 19.487 -28.134 260 HE3 LYS 45 HE3 LYS 45 0.844 18.991 -29.282 261 HZ1 LYS 45 HZ1 LYS 45 0.023 20.723 -27.836 262 HZ2 LYS 45 HZ2 LYS 45 0.388 19.805 -26.462 263 HZ3 LYS 45 HZ3 LYS 45 -0.814 19.285 -27.533 264 H GLU 46 H GLU 46 6.062 18.206 -26.986 265 HA GLU 46 HA GLU 46 6.871 16.152 -28.680 266 HB2 GLU 46 HB2 GLU 46 8.864 17.514 -29.122 267 HB3 GLU 46 HB3 GLU 46 7.404 18.493 -29.108 268 HG2 GLU 46 HG2 GLU 46 8.058 18.876 -26.601 269 HG3 GLU 46 HG3 GLU 46 9.663 18.427 -27.174 270 H ASP 47 H ASP 47 7.811 16.885 -25.409 271 HA ASP 47 HA ASP 47 10.225 15.594 -25.151 272 HB2 ASP 47 HB2 ASP 47 8.012 16.287 -23.356 273 HB3 ASP 47 HB3 ASP 47 8.954 14.901 -22.813 274 H HIS 48 H HIS 48 7.001 14.130 -24.739 275 HA HIS 48 HA HIS 48 8.213 11.473 -24.845 276 HB2 HIS 48 HB2 HIS 48 5.994 10.656 -24.167 277 HB3 HIS 48 HB3 HIS 48 6.591 11.889 -23.061 278 HD1 HIS 48 HD1 HIS 48 5.134 13.895 -22.699 279 HD2 HIS 48 HD2 HIS 48 3.927 11.618 -25.958 280 HE1 HIS 48 HE1 HIS 48 2.935 14.875 -23.426 281 H HIS 49 H HIS 49 7.822 13.375 -27.174 282 HA HIS 49 HA HIS 49 7.164 13.324 -29.357 283 HB2 HIS 49 HB2 HIS 49 7.717 10.456 -28.684 284 HB3 HIS 49 HB3 HIS 49 7.095 10.871 -30.279 285 HD1 HIS 49 HD1 HIS 49 8.968 10.919 -31.877 286 HD2 HIS 49 HD2 HIS 49 10.063 12.474 -28.184 287 HE1 HIS 49 HE1 HIS 49 11.356 11.662 -32.142 288 H CYS 50 H CYS 50 5.026 13.936 -28.009 289 HA CYS 50 HA CYS 50 2.845 12.252 -27.880 290 HB2 CYS 50 HB2 CYS 50 3.089 14.707 -27.117 291 HB3 CYS 50 HB3 CYS 50 2.567 15.121 -28.747 292 H ARG 51 H ARG 51 1.667 11.203 -29.336 293 HA ARG 51 HA ARG 51 2.225 11.112 -32.042 294 HB2 ARG 51 HB2 ARG 51 0.158 9.889 -32.307 295 HB3 ARG 51 HB3 ARG 51 0.920 9.410 -30.797 296 HG2 ARG 51 HG2 ARG 51 -0.622 11.195 -29.733 297 HG3 ARG 51 HG3 ARG 51 -1.538 11.048 -31.234 298 HD2 ARG 51 HD2 ARG 51 -0.887 8.847 -29.280 299 HD3 ARG 51 HD3 ARG 51 -2.470 9.564 -29.579 300 HE ARG 51 HE ARG 51 -1.291 8.422 -31.929 301 HH11 ARG 51 HH11 ARG 51 -3.144 7.742 -29.061 302 HH12 ARG 51 HH12 ARG 51 -3.896 6.329 -29.725 303 HH21 ARG 51 HH21 ARG 51 -2.275 6.564 -32.814 304 HH22 ARG 51 HH22 ARG 51 -3.400 5.659 -31.859 305 H TRP 52 H TRP 52 -0.009 13.186 -30.296 306 HA TRP 52 HA TRP 52 -1.437 14.214 -32.475 307 HB2 TRP 52 HB2 TRP 52 -1.924 14.508 -29.986 308 HB3 TRP 52 HB3 TRP 52 -0.727 15.800 -30.009 309 HD1 TRP 52 HD1 TRP 52 -4.298 15.021 -30.990 310 HE1 TRP 52 HE1 TRP 52 -5.434 17.171 -31.833 311 HE3 TRP 52 HE3 TRP 52 -0.192 18.054 -31.264 312 HZ2 TRP 52 HZ2 TRP 52 -4.688 19.804 -32.523 313 HZ3 TRP 52 HZ3 TRP 52 -0.488 20.374 -32.026 314 HH2 TRP 52 HH2 TRP 52 -2.691 21.229 -32.642 315 H LEU 53 H LEU 53 1.627 15.207 -31.027 316 HA LEU 53 HA LEU 53 1.960 17.576 -32.527 317 HB2 LEU 53 HB2 LEU 53 3.517 15.964 -30.694 318 HB3 LEU 53 HB3 LEU 53 4.512 16.604 -32.001 319 HG LEU 53 HG LEU 53 2.832 18.219 -30.082 320 HD11 LEU 53 HD11 LEU 53 4.877 17.229 -29.113 321 HD12 LEU 53 HD12 LEU 53 4.934 18.990 -29.192 322 HD13 LEU 53 HD13 LEU 53 5.827 18.026 -30.368 323 HD21 LEU 53 HD21 LEU 53 2.799 19.629 -31.850 324 HD22 LEU 53 HD22 LEU 53 4.199 18.879 -32.618 325 HD23 LEU 53 HD23 LEU 53 4.425 20.009 -31.282 326 H LEU 54 H LEU 54 2.815 14.218 -33.137 327 HA LEU 54 HA LEU 54 4.378 14.737 -35.461 328 HB2 LEU 54 HB2 LEU 54 2.955 12.152 -34.980 329 HB3 LEU 54 HB3 LEU 54 4.533 12.435 -35.713 330 HG LEU 54 HG LEU 54 3.851 12.610 -32.780 331 HD11 LEU 54 HD11 LEU 54 5.781 10.797 -32.910 332 HD12 LEU 54 HD12 LEU 54 5.103 10.562 -34.521 333 HD13 LEU 54 HD13 LEU 54 4.079 10.371 -33.098 334 HD21 LEU 54 HD21 LEU 54 6.250 13.005 -32.453 335 HD22 LEU 54 HD22 LEU 54 5.488 14.307 -33.367 336 HD23 LEU 54 HD23 LEU 54 6.466 13.099 -34.201 337 H GLU 55 H GLU 55 1.091 13.417 -35.040 338 HA GLU 55 HA GLU 55 0.429 13.334 -37.758 339 HB2 GLU 55 HB2 GLU 55 -1.874 13.135 -37.040 340 HB3 GLU 55 HB3 GLU 55 -0.846 12.191 -35.971 341 HG2 GLU 55 HG2 GLU 55 -0.882 14.176 -34.405 342 HG3 GLU 55 HG3 GLU 55 -2.169 14.827 -35.419 343 H HIS 56 H HIS 56 0.206 15.925 -35.394 344 HA HIS 56 HA HIS 56 -0.617 17.744 -37.561 345 HB2 HIS 56 HB2 HIS 56 -1.692 17.374 -34.858 346 HB3 HIS 56 HB3 HIS 56 -1.336 19.053 -35.252 347 HD1 HIS 56 HD1 HIS 56 -2.534 19.957 -37.502 348 HD2 HIS 56 HD2 HIS 56 -4.038 16.440 -35.880 349 HE1 HIS 56 HE1 HIS 56 -4.809 19.661 -38.531 350 H GLU 57 H GLU 57 1.600 18.142 -38.034 351 HA GLU 57 HA GLU 57 2.991 19.748 -35.993 352 HB2 GLU 57 HB2 GLU 57 5.067 19.173 -37.365 353 HB3 GLU 57 HB3 GLU 57 4.357 17.878 -36.411 354 HG2 GLU 57 HG2 GLU 57 3.206 17.070 -38.446 355 HG3 GLU 57 HG3 GLU 57 4.052 18.308 -39.373 356 H GLU 58 H GLU 58 2.466 21.809 -36.451 357 HA GLU 58 HA GLU 58 2.960 22.744 -39.202 358 HB2 GLU 58 HB2 GLU 58 1.248 24.532 -38.703 359 HB3 GLU 58 HB3 GLU 58 0.613 22.902 -38.876 360 HG2 GLU 58 HG2 GLU 58 0.596 22.699 -36.407 361 HG3 GLU 58 HG3 GLU 58 1.093 24.387 -36.305 362 H VAL 59 H VAL 59 4.266 24.472 -39.453 363 HA VAL 59 HA VAL 59 5.815 26.066 -38.957 364 HB VAL 59 HB VAL 59 4.081 26.561 -36.532 365 HG11 VAL 59 HG11 VAL 59 6.399 27.980 -37.734 366 HG12 VAL 59 HG12 VAL 59 5.091 28.950 -37.054 367 HG13 VAL 59 HG13 VAL 59 5.945 27.785 -36.042 368 HG21 VAL 59 HG21 VAL 59 3.685 27.089 -39.365 369 HG22 VAL 59 HG22 VAL 59 2.536 27.166 -38.029 370 HG23 VAL 59 HG23 VAL 59 3.578 28.546 -38.378 Start of MODEL 3 1 H MET 11 H MET 11 2.665 -3.001 1.519 2 HA MET 11 HA MET 11 4.080 -1.058 0.682 3 HB2 MET 11 HB2 MET 11 2.920 -3.252 -0.858 4 HB3 MET 11 HB3 MET 11 3.400 -1.892 -1.864 5 HG2 MET 11 HG2 MET 11 5.343 -2.798 0.169 6 HG3 MET 11 HG3 MET 11 5.052 -3.872 -1.198 7 HE1 MET 11 HE1 MET 11 6.154 -3.190 -3.838 8 HE2 MET 11 HE2 MET 11 7.777 -2.795 -3.270 9 HE3 MET 11 HE3 MET 11 6.831 -4.036 -2.446 10 H LEU 12 H LEU 12 3.976 0.974 -0.040 11 HA LEU 12 HA LEU 12 1.473 1.875 -1.305 12 HB2 LEU 12 HB2 LEU 12 3.157 3.726 0.321 13 HB3 LEU 12 HB3 LEU 12 1.441 3.827 -0.070 14 HG LEU 12 HG LEU 12 1.612 1.550 1.484 15 HD11 LEU 12 HD11 LEU 12 3.088 1.797 3.185 16 HD12 LEU 12 HD12 LEU 12 3.072 3.557 3.096 17 HD13 LEU 12 HD13 LEU 12 4.008 2.624 1.929 18 HD21 LEU 12 HD21 LEU 12 0.594 3.030 3.235 19 HD22 LEU 12 HD22 LEU 12 -0.179 3.109 1.651 20 HD23 LEU 12 HD23 LEU 12 0.909 4.398 2.168 21 H ASP 13 H ASP 13 1.952 2.169 -3.387 22 HA ASP 13 HA ASP 13 4.103 4.015 -4.063 23 HB2 ASP 13 HB2 ASP 13 3.959 1.157 -4.959 24 HB3 ASP 13 HB3 ASP 13 4.656 2.374 -6.024 25 H VAL 14 H VAL 14 1.868 5.095 -4.237 26 HA VAL 14 HA VAL 14 0.356 4.445 -6.612 27 HB VAL 14 HB VAL 14 -0.965 6.484 -6.027 28 HG11 VAL 14 HG11 VAL 14 -1.832 5.531 -3.841 29 HG12 VAL 14 HG12 VAL 14 -1.799 4.430 -5.220 30 HG13 VAL 14 HG13 VAL 14 -0.554 4.324 -3.975 31 HG21 VAL 14 HG21 VAL 14 -0.243 7.993 -4.559 32 HG22 VAL 14 HG22 VAL 14 0.067 6.754 -3.343 33 HG23 VAL 14 HG23 VAL 14 1.300 7.140 -4.543 34 H GLY 15 H GLY 15 2.744 4.820 -7.610 35 HA2 GLY 15 HA2 GLY 15 2.638 7.529 -8.784 36 HA3 GLY 15 HA3 GLY 15 4.161 6.785 -8.323 37 H LYS 16 H LYS 16 3.158 7.739 -10.947 38 HA LYS 16 HA LYS 16 3.123 5.221 -12.457 39 HB2 LYS 16 HB2 LYS 16 1.763 7.709 -12.762 40 HB3 LYS 16 HB3 LYS 16 2.803 7.482 -14.162 41 HG2 LYS 16 HG2 LYS 16 1.339 6.078 -15.036 42 HG3 LYS 16 HG3 LYS 16 1.489 5.022 -13.629 43 HD2 LYS 16 HD2 LYS 16 -0.162 6.560 -12.474 44 HD3 LYS 16 HD3 LYS 16 -0.445 7.290 -14.055 45 HE2 LYS 16 HE2 LYS 16 -0.651 4.326 -13.689 46 HE3 LYS 16 HE3 LYS 16 -1.993 5.376 -13.238 47 HZ1 LYS 16 HZ1 LYS 16 -1.879 6.292 -15.538 48 HZ2 LYS 16 HZ2 LYS 16 -2.347 4.669 -15.457 49 HZ3 LYS 16 HZ3 LYS 16 -0.772 5.072 -15.923 50 H HIS 17 H HIS 17 4.689 4.707 -13.919 51 HA HIS 17 HA HIS 17 7.149 6.262 -13.767 52 HB2 HIS 17 HB2 HIS 17 6.759 3.641 -15.208 53 HB3 HIS 17 HB3 HIS 17 8.264 4.343 -14.621 54 HD1 HIS 17 HD1 HIS 17 5.059 2.837 -13.268 55 HD2 HIS 17 HD2 HIS 17 8.989 3.541 -12.120 56 HE1 HIS 17 HE1 HIS 17 5.329 1.681 -11.051 57 H CYS 18 H CYS 18 8.079 7.319 -15.447 58 HA CYS 18 HA CYS 18 6.563 8.340 -17.512 59 HB2 CYS 18 HB2 CYS 18 8.834 9.136 -16.668 60 HB3 CYS 18 HB3 CYS 18 9.543 7.914 -17.719 61 H ALA 19 H ALA 19 6.393 7.916 -19.725 62 HA ALA 19 HA ALA 19 6.801 5.100 -20.426 63 HB1 ALA 19 HB1 ALA 19 4.726 6.998 -20.931 64 HB2 ALA 19 HB2 ALA 19 5.370 6.414 -22.466 65 HB3 ALA 19 HB3 ALA 19 4.758 5.268 -21.273 66 H TYR 20 H TYR 20 8.773 7.486 -20.515 67 HA TYR 20 HA TYR 20 9.749 6.903 -23.228 68 HB2 TYR 20 HB2 TYR 20 8.764 9.165 -23.183 69 HB3 TYR 20 HB3 TYR 20 9.845 9.603 -21.864 70 HD1 TYR 20 HD1 TYR 20 12.200 10.017 -22.269 71 HD2 TYR 20 HD2 TYR 20 9.603 8.918 -25.455 72 HE1 TYR 20 HE1 TYR 20 13.907 10.719 -23.895 73 HE2 TYR 20 HE2 TYR 20 11.303 9.616 -27.090 74 HH TYR 20 HH TYR 20 13.454 10.227 -27.362 75 H CYS 21 H CYS 21 10.524 7.935 -19.941 76 HA CYS 21 HA CYS 21 13.282 6.985 -20.363 77 HB2 CYS 21 HB2 CYS 21 14.081 8.591 -18.842 78 HB3 CYS 21 HB3 CYS 21 12.890 9.463 -19.803 79 H ARG 22 H ARG 22 10.363 6.476 -18.721 80 HA ARG 22 HA ARG 22 9.701 4.971 -17.149 81 HB2 ARG 22 HB2 ARG 22 12.455 3.777 -17.507 82 HB3 ARG 22 HB3 ARG 22 11.056 2.983 -16.796 83 HG2 ARG 22 HG2 ARG 22 10.653 4.010 -19.517 84 HG3 ARG 22 HG3 ARG 22 11.831 2.705 -19.367 85 HD2 ARG 22 HD2 ARG 22 9.054 2.592 -18.204 86 HD3 ARG 22 HD3 ARG 22 9.467 1.975 -19.804 87 HE ARG 22 HE ARG 22 10.039 0.747 -17.276 88 HH11 ARG 22 HH11 ARG 22 11.047 1.029 -20.596 89 HH12 ARG 22 HH12 ARG 22 11.844 -0.510 -20.621 90 HH21 ARG 22 HH21 ARG 22 11.084 -1.280 -17.296 91 HH22 ARG 22 HH22 ARG 22 11.863 -1.822 -18.744 92 H GLN 23 H GLN 23 10.008 7.070 -15.856 93 HA GLN 23 HA GLN 23 11.906 6.560 -13.660 94 HB2 GLN 23 HB2 GLN 23 12.600 8.557 -14.766 95 HB3 GLN 23 HB3 GLN 23 10.953 9.172 -14.829 96 HG2 GLN 23 HG2 GLN 23 10.942 9.758 -12.599 97 HG3 GLN 23 HG3 GLN 23 12.241 8.638 -12.192 98 HE21 GLN 23 HE21 GLN 23 13.043 10.587 -11.078 99 HE22 GLN 23 HE22 GLN 23 14.019 11.695 -11.975 100 H LEU 24 H LEU 24 10.927 5.940 -11.862 101 HA LEU 24 HA LEU 24 8.140 6.068 -11.460 102 HB2 LEU 24 HB2 LEU 24 9.787 4.445 -10.434 103 HB3 LEU 24 HB3 LEU 24 10.212 5.731 -9.306 104 HG LEU 24 HG LEU 24 7.373 4.809 -9.557 105 HD11 LEU 24 HD11 LEU 24 9.239 3.607 -7.555 106 HD12 LEU 24 HD12 LEU 24 9.062 2.890 -9.156 107 HD13 LEU 24 HD13 LEU 24 7.660 3.039 -8.097 108 HD21 LEU 24 HD21 LEU 24 7.135 6.395 -8.021 109 HD22 LEU 24 HD22 LEU 24 8.880 6.625 -7.905 110 HD23 LEU 24 HD23 LEU 24 8.085 5.393 -6.923 111 H ASP 25 H ASP 25 7.093 7.942 -11.255 112 HA ASP 25 HA ASP 25 8.206 9.957 -9.413 113 HB2 ASP 25 HB2 ASP 25 7.517 10.261 -12.104 114 HB3 ASP 25 HB3 ASP 25 6.182 10.991 -11.217 115 H PHE 26 H PHE 26 6.629 11.238 -8.223 116 HA PHE 26 HA PHE 26 4.462 9.559 -7.266 117 HB2 PHE 26 HB2 PHE 26 5.224 12.299 -6.255 118 HB3 PHE 26 HB3 PHE 26 4.324 11.047 -5.405 119 HD1 PHE 26 HD1 PHE 26 7.645 12.064 -6.609 120 HD2 PHE 26 HD2 PHE 26 5.437 9.279 -4.268 121 HE1 PHE 26 HE1 PHE 26 9.742 11.236 -5.623 122 HE2 PHE 26 HE2 PHE 26 7.530 8.446 -3.278 123 HZ PHE 26 HZ PHE 26 9.686 9.425 -3.954 124 H LEU 27 H LEU 27 4.908 12.682 -8.847 125 HA LEU 27 HA LEU 27 1.991 12.874 -9.192 126 HB2 LEU 27 HB2 LEU 27 4.058 14.815 -8.585 127 HB3 LEU 27 HB3 LEU 27 3.093 15.293 -9.980 128 HG LEU 27 HG LEU 27 1.945 14.591 -7.280 129 HD11 LEU 27 HD11 LEU 27 3.212 16.560 -6.951 130 HD12 LEU 27 HD12 LEU 27 1.539 17.076 -7.161 131 HD13 LEU 27 HD13 LEU 27 2.686 17.243 -8.490 132 HD21 LEU 27 HD21 LEU 27 0.276 16.263 -8.829 133 HD22 LEU 27 HD22 LEU 27 -0.008 14.595 -8.331 134 HD23 LEU 27 HD23 LEU 27 0.794 14.934 -9.866 135 HA PRO 28 HA PRO 28 3.558 11.759 -13.372 136 HB2 PRO 28 HB2 PRO 28 1.373 10.287 -14.028 137 HB3 PRO 28 HB3 PRO 28 2.739 9.627 -13.120 138 HG2 PRO 28 HG2 PRO 28 0.099 10.620 -12.116 139 HG3 PRO 28 HG3 PRO 28 1.008 9.176 -11.634 140 HD2 PRO 28 HD2 PRO 28 1.014 11.456 -10.173 141 HD3 PRO 28 HD3 PRO 28 2.416 10.369 -10.253 142 H PHE 29 H PHE 29 3.252 13.102 -15.029 143 HA PHE 29 HA PHE 29 0.968 14.881 -15.041 144 HB2 PHE 29 HB2 PHE 29 3.572 14.737 -16.489 145 HB3 PHE 29 HB3 PHE 29 2.256 15.632 -17.241 146 HD1 PHE 29 HD1 PHE 29 1.569 17.746 -16.413 147 HD2 PHE 29 HD2 PHE 29 4.448 15.439 -14.291 148 HE1 PHE 29 HE1 PHE 29 2.093 19.697 -15.010 149 HE2 PHE 29 HE2 PHE 29 4.976 17.387 -12.883 150 HZ PHE 29 HZ PHE 29 3.799 19.520 -13.243 151 H HIS 30 H HIS 30 -0.876 14.054 -15.802 152 HA HIS 30 HA HIS 30 -0.906 12.088 -17.913 153 HB2 HIS 30 HB2 HIS 30 -2.526 11.922 -16.098 154 HB3 HIS 30 HB3 HIS 30 -3.163 13.516 -16.492 155 HD1 HIS 30 HD1 HIS 30 -3.250 9.953 -17.579 156 HD2 HIS 30 HD2 HIS 30 -4.833 13.609 -18.756 157 HE1 HIS 30 HE1 HIS 30 -5.045 9.401 -19.251 158 H CYS 31 H CYS 31 -0.943 12.518 -20.011 159 HA CYS 31 HA CYS 31 -1.332 15.242 -20.923 160 HB2 CYS 31 HB2 CYS 31 0.363 13.324 -21.747 161 HB3 CYS 31 HB3 CYS 31 -0.956 13.040 -22.877 162 H SER 32 H SER 32 -3.116 16.031 -21.844 163 HA SER 32 HA SER 32 -5.405 14.250 -22.163 164 HB2 SER 32 HB2 SER 32 -5.226 16.730 -21.065 165 HB3 SER 32 HB3 SER 32 -5.746 17.135 -22.700 166 HG SER 32 HG SER 32 -7.439 16.674 -21.076 167 H PHE 33 H PHE 33 -3.050 14.535 -24.070 168 HA PHE 33 HA PHE 33 -4.624 15.130 -26.489 169 HB2 PHE 33 HB2 PHE 33 -1.617 15.252 -26.355 170 HB3 PHE 33 HB3 PHE 33 -2.685 15.939 -27.574 171 HD1 PHE 33 HD1 PHE 33 -4.676 17.305 -25.889 172 HD2 PHE 33 HD2 PHE 33 -0.442 17.070 -25.526 173 HE1 PHE 33 HE1 PHE 33 -4.663 19.453 -24.690 174 HE2 PHE 33 HE2 PHE 33 -0.422 19.217 -24.324 175 HZ PHE 33 HZ PHE 33 -2.535 20.411 -23.904 176 H CYS 34 H CYS 34 -1.989 13.132 -25.191 177 HA CYS 34 HA CYS 34 -2.544 11.138 -27.279 178 HB2 CYS 34 HB2 CYS 34 -0.332 10.212 -26.758 179 HB3 CYS 34 HB3 CYS 34 -0.221 11.918 -27.181 180 H ASN 35 H ASN 35 -2.911 11.789 -23.963 181 HA ASN 35 HA ASN 35 -3.851 10.601 -22.263 182 HB2 ASN 35 HB2 ASN 35 -5.190 9.695 -24.373 183 HB3 ASN 35 HB3 ASN 35 -4.330 8.209 -23.980 184 HD21 ASN 35 HD21 ASN 35 -4.442 7.586 -21.628 185 HD22 ASN 35 HD22 ASN 35 -5.975 7.766 -20.852 186 H GLU 36 H GLU 36 -1.315 10.603 -21.978 187 HA GLU 36 HA GLU 36 -0.640 7.896 -21.138 188 HB2 GLU 36 HB2 GLU 36 0.999 9.537 -23.059 189 HB3 GLU 36 HB3 GLU 36 1.721 8.277 -22.069 190 HG2 GLU 36 HG2 GLU 36 -0.468 7.040 -23.210 191 HG3 GLU 36 HG3 GLU 36 0.160 8.066 -24.498 192 H ASP 37 H ASP 37 1.069 7.820 -19.564 193 HA ASP 37 HA ASP 37 1.220 10.298 -18.012 194 HB2 ASP 37 HB2 ASP 37 2.126 8.713 -16.221 195 HB3 ASP 37 HB3 ASP 37 0.435 8.517 -16.676 196 H PHE 38 H PHE 38 3.130 11.251 -17.422 197 HA PHE 38 HA PHE 38 5.657 10.015 -18.129 198 HB2 PHE 38 HB2 PHE 38 4.850 12.672 -19.331 199 HB3 PHE 38 HB3 PHE 38 6.409 11.875 -19.522 200 HD1 PHE 38 HD1 PHE 38 6.453 9.614 -20.684 201 HD2 PHE 38 HD2 PHE 38 3.100 12.234 -20.801 202 HE1 PHE 38 HE1 PHE 38 5.611 8.443 -22.678 203 HE2 PHE 38 HE2 PHE 38 2.253 11.067 -22.794 204 HZ PHE 38 HZ PHE 38 3.508 9.168 -23.735 205 H CYS 39 H CYS 39 7.293 10.656 -16.828 206 HA CYS 39 HA CYS 39 6.830 11.882 -14.410 207 HB2 CYS 39 HB2 CYS 39 9.168 11.896 -14.073 208 HB3 CYS 39 HB3 CYS 39 8.870 10.536 -15.152 209 H SER 40 H SER 40 7.547 13.937 -13.546 210 HA SER 40 HA SER 40 6.530 16.138 -14.875 211 HB2 SER 40 HB2 SER 40 8.764 16.393 -12.871 212 HB3 SER 40 HB3 SER 40 7.382 17.459 -13.118 213 HG SER 40 HG SER 40 6.736 16.319 -11.422 214 H ASN 41 H ASN 41 9.801 14.849 -14.874 215 HA ASN 41 HA ASN 41 11.111 17.000 -16.099 216 HB2 ASN 41 HB2 ASN 41 11.772 14.378 -15.290 217 HB3 ASN 41 HB3 ASN 41 12.212 14.494 -16.991 218 HD21 ASN 41 HD21 ASN 41 12.485 16.286 -13.949 219 HD22 ASN 41 HD22 ASN 41 14.079 16.885 -14.245 220 H HIS 42 H HIS 42 9.046 14.523 -17.393 221 HA HIS 42 HA HIS 42 9.512 15.586 -20.102 222 HB2 HIS 42 HB2 HIS 42 8.797 12.792 -19.212 223 HB3 HIS 42 HB3 HIS 42 8.633 13.331 -20.881 224 HD2 HIS 42 HD2 HIS 42 11.340 14.516 -21.730 225 HE1 HIS 42 HE1 HIS 42 13.278 11.383 -19.625 226 HE2 HIS 42 HE2 HIS 42 13.531 13.189 -21.364 227 H ARG 43 H ARG 43 7.597 16.345 -17.881 228 HA ARG 43 HA ARG 43 4.992 15.570 -18.446 229 HB2 ARG 43 HB2 ARG 43 4.293 17.638 -17.349 230 HB3 ARG 43 HB3 ARG 43 5.613 16.881 -16.469 231 HG2 ARG 43 HG2 ARG 43 7.154 18.465 -17.723 232 HG3 ARG 43 HG3 ARG 43 5.691 19.329 -18.199 233 HD2 ARG 43 HD2 ARG 43 5.148 19.828 -15.945 234 HD3 ARG 43 HD3 ARG 43 6.362 18.706 -15.334 235 HE ARG 43 HE ARG 43 7.915 20.363 -15.534 236 HH11 ARG 43 HH11 ARG 43 5.185 21.147 -17.546 237 HH12 ARG 43 HH12 ARG 43 5.787 22.714 -17.977 238 HH21 ARG 43 HH21 ARG 43 8.719 22.423 -16.094 239 HH22 ARG 43 HH22 ARG 43 7.797 23.438 -17.152 240 H LEU 44 H LEU 44 6.982 18.063 -19.949 241 HA LEU 44 HA LEU 44 5.100 19.405 -21.454 242 HB2 LEU 44 HB2 LEU 44 7.828 18.653 -22.473 243 HB3 LEU 44 HB3 LEU 44 6.868 20.067 -22.901 244 HG LEU 44 HG LEU 44 8.200 19.549 -20.244 245 HD11 LEU 44 HD11 LEU 44 9.182 20.632 -22.666 246 HD12 LEU 44 HD12 LEU 44 9.979 20.556 -21.095 247 HD13 LEU 44 HD13 LEU 44 9.000 21.960 -21.519 248 HD21 LEU 44 HD21 LEU 44 6.061 20.744 -20.020 249 HD22 LEU 44 HD22 LEU 44 6.629 21.950 -21.175 250 HD23 LEU 44 HD23 LEU 44 7.444 21.764 -19.621 251 H LYS 45 H LYS 45 4.863 19.273 -23.887 252 HA LYS 45 HA LYS 45 3.815 16.693 -24.553 253 HB2 LYS 45 HB2 LYS 45 3.599 19.388 -25.548 254 HB3 LYS 45 HB3 LYS 45 3.902 18.280 -26.879 255 HG2 LYS 45 HG2 LYS 45 1.994 16.909 -25.594 256 HG3 LYS 45 HG3 LYS 45 1.540 18.552 -25.134 257 HD2 LYS 45 HD2 LYS 45 2.022 17.649 -27.972 258 HD3 LYS 45 HD3 LYS 45 0.432 17.737 -27.212 259 HE2 LYS 45 HE2 LYS 45 2.307 20.084 -27.431 260 HE3 LYS 45 HE3 LYS 45 1.065 19.717 -28.627 261 HZ1 LYS 45 HZ1 LYS 45 0.545 20.218 -25.746 262 HZ2 LYS 45 HZ2 LYS 45 -0.619 19.969 -26.947 263 HZ3 LYS 45 HZ3 LYS 45 0.342 21.361 -26.977 264 H GLU 46 H GLU 46 6.235 18.744 -26.194 265 HA GLU 46 HA GLU 46 7.174 16.830 -27.968 266 HB2 GLU 46 HB2 GLU 46 9.069 18.236 -28.311 267 HB3 GLU 46 HB3 GLU 46 7.700 19.289 -27.985 268 HG2 GLU 46 HG2 GLU 46 8.473 19.418 -25.611 269 HG3 GLU 46 HG3 GLU 46 9.927 18.553 -26.106 270 H ASP 47 H ASP 47 7.878 17.282 -24.590 271 HA ASP 47 HA ASP 47 10.266 15.957 -24.268 272 HB2 ASP 47 HB2 ASP 47 7.850 16.312 -22.564 273 HB3 ASP 47 HB3 ASP 47 9.038 15.117 -22.052 274 H HIS 48 H HIS 48 7.019 14.487 -24.214 275 HA HIS 48 HA HIS 48 8.239 11.842 -24.475 276 HB2 HIS 48 HB2 HIS 48 5.980 10.980 -23.998 277 HB3 HIS 48 HB3 HIS 48 6.533 12.088 -22.746 278 HD1 HIS 48 HD1 HIS 48 5.116 14.117 -22.294 279 HD2 HIS 48 HD2 HIS 48 3.969 12.092 -25.736 280 HE1 HIS 48 HE1 HIS 48 2.952 15.180 -23.010 281 H HIS 49 H HIS 49 7.964 13.947 -26.642 282 HA HIS 49 HA HIS 49 7.418 14.092 -28.852 283 HB2 HIS 49 HB2 HIS 49 7.861 11.142 -28.455 284 HB3 HIS 49 HB3 HIS 49 7.461 11.799 -30.039 285 HD1 HIS 49 HD1 HIS 49 9.331 12.836 -31.357 286 HD2 HIS 49 HD2 HIS 49 10.379 12.090 -27.407 287 HE1 HIS 49 HE1 HIS 49 11.804 13.272 -31.223 288 H CYS 50 H CYS 50 5.211 14.574 -27.550 289 HA CYS 50 HA CYS 50 3.034 12.886 -27.697 290 HB2 CYS 50 HB2 CYS 50 3.232 15.257 -26.688 291 HB3 CYS 50 HB3 CYS 50 2.781 15.825 -28.293 292 H ARG 51 H ARG 51 1.888 12.019 -29.295 293 HA ARG 51 HA ARG 51 2.590 12.153 -31.966 294 HB2 ARG 51 HB2 ARG 51 0.511 11.019 -32.448 295 HB3 ARG 51 HB3 ARG 51 1.178 10.386 -30.949 296 HG2 ARG 51 HG2 ARG 51 -0.374 12.084 -29.794 297 HG3 ARG 51 HG3 ARG 51 -1.198 12.156 -31.353 298 HD2 ARG 51 HD2 ARG 51 -0.639 9.443 -30.388 299 HD3 ARG 51 HD3 ARG 51 -1.749 10.366 -29.375 300 HE ARG 51 HE ARG 51 -2.734 10.750 -31.859 301 HH11 ARG 51 HH11 ARG 51 -1.836 7.903 -30.069 302 HH12 ARG 51 HH12 ARG 51 -3.003 6.886 -30.847 303 HH21 ARG 51 HH21 ARG 51 -4.275 9.421 -32.891 304 HH22 ARG 51 HH22 ARG 51 -4.389 7.751 -32.453 305 H TRP 52 H TRP 52 0.320 14.131 -30.158 306 HA TRP 52 HA TRP 52 -0.971 15.388 -32.299 307 HB2 TRP 52 HB2 TRP 52 -1.562 15.488 -29.817 308 HB3 TRP 52 HB3 TRP 52 -0.328 16.738 -29.679 309 HD1 TRP 52 HD1 TRP 52 -3.872 16.160 -30.873 310 HE1 TRP 52 HE1 TRP 52 -4.906 18.409 -31.579 311 HE3 TRP 52 HE3 TRP 52 0.329 19.069 -30.717 312 HZ2 TRP 52 HZ2 TRP 52 -4.053 21.065 -32.014 313 HZ3 TRP 52 HZ3 TRP 52 0.135 21.454 -31.293 314 HH2 TRP 52 HH2 TRP 52 -2.012 22.429 -31.928 315 H LEU 53 H LEU 53 2.031 16.194 -30.611 316 HA LEU 53 HA LEU 53 2.503 18.652 -31.908 317 HB2 LEU 53 HB2 LEU 53 3.919 16.865 -30.127 318 HB3 LEU 53 HB3 LEU 53 4.999 17.567 -31.330 319 HG LEU 53 HG LEU 53 3.262 19.094 -29.391 320 HD11 LEU 53 HD11 LEU 53 6.263 18.979 -29.506 321 HD12 LEU 53 HD12 LEU 53 5.305 17.894 -28.497 322 HD13 LEU 53 HD13 LEU 53 5.238 19.636 -28.230 323 HD21 LEU 53 HD21 LEU 53 3.380 20.481 -31.247 324 HD22 LEU 53 HD22 LEU 53 5.004 19.941 -31.675 325 HD23 LEU 53 HD23 LEU 53 4.764 20.998 -30.283 326 H LEU 54 H LEU 54 3.465 15.336 -32.676 327 HA LEU 54 HA LEU 54 5.065 16.044 -34.923 328 HB2 LEU 54 HB2 LEU 54 3.747 13.377 -34.616 329 HB3 LEU 54 HB3 LEU 54 5.329 13.765 -35.288 330 HG LEU 54 HG LEU 54 4.563 13.760 -32.370 331 HD11 LEU 54 HD11 LEU 54 6.773 12.100 -33.009 332 HD12 LEU 54 HD12 LEU 54 5.457 11.716 -34.118 333 HD13 LEU 54 HD13 LEU 54 5.193 11.638 -32.376 334 HD21 LEU 54 HD21 LEU 54 7.229 14.369 -33.644 335 HD22 LEU 54 HD22 LEU 54 6.881 14.298 -31.917 336 HD23 LEU 54 HD23 LEU 54 6.154 15.560 -32.913 337 H GLU 55 H GLU 55 1.690 15.171 -34.473 338 HA GLU 55 HA GLU 55 0.972 14.718 -37.130 339 HB2 GLU 55 HB2 GLU 55 -0.362 15.046 -34.634 340 HB3 GLU 55 HB3 GLU 55 -1.169 16.066 -35.816 341 HG2 GLU 55 HG2 GLU 55 -1.085 13.925 -37.300 342 HG3 GLU 55 HG3 GLU 55 -0.879 13.102 -35.755 343 H HIS 56 H HIS 56 1.343 17.716 -35.331 344 HA HIS 56 HA HIS 56 0.695 19.225 -37.775 345 HB2 HIS 56 HB2 HIS 56 0.476 19.908 -34.858 346 HB3 HIS 56 HB3 HIS 56 0.574 21.181 -36.071 347 HD1 HIS 56 HD1 HIS 56 -1.766 22.062 -36.032 348 HD2 HIS 56 HD2 HIS 56 -1.634 17.926 -36.398 349 HE1 HIS 56 HE1 HIS 56 -4.139 21.350 -36.465 350 H GLU 57 H GLU 57 3.034 18.329 -38.182 351 HA GLU 57 HA GLU 57 5.162 19.755 -36.894 352 HB2 GLU 57 HB2 GLU 57 4.909 17.689 -38.979 353 HB3 GLU 57 HB3 GLU 57 6.284 18.766 -39.172 354 HG2 GLU 57 HG2 GLU 57 5.708 17.376 -36.579 355 HG3 GLU 57 HG3 GLU 57 6.648 16.619 -37.864 356 H GLU 58 H GLU 58 4.382 21.933 -37.234 357 HA GLU 58 HA GLU 58 4.305 23.947 -38.296 358 HB2 GLU 58 HB2 GLU 58 6.761 22.689 -38.953 359 HB3 GLU 58 HB3 GLU 58 6.190 23.502 -40.404 360 HG2 GLU 58 HG2 GLU 58 5.825 25.274 -38.229 361 HG3 GLU 58 HG3 GLU 58 7.455 24.612 -38.120 362 H VAL 59 H VAL 59 4.516 24.844 -40.819 363 HA VAL 59 HA VAL 59 2.110 23.869 -42.027 364 HB VAL 59 HB VAL 59 2.532 25.568 -43.765 365 HG11 VAL 59 HG11 VAL 59 3.123 27.090 -41.316 366 HG12 VAL 59 HG12 VAL 59 1.775 27.231 -42.446 367 HG13 VAL 59 HG13 VAL 59 1.762 25.974 -41.208 368 HG21 VAL 59 HG21 VAL 59 4.522 26.521 -44.127 369 HG22 VAL 59 HG22 VAL 59 4.796 26.808 -42.409 370 HG23 VAL 59 HG23 VAL 59 5.182 25.238 -43.113 Start of MODEL 4 1 H MET 11 H MET 11 4.165 -2.153 -1.540 2 HA MET 11 HA MET 11 5.334 -1.211 -3.997 3 HB2 MET 11 HB2 MET 11 4.599 -4.130 -3.717 4 HB3 MET 11 HB3 MET 11 5.002 -3.328 -5.229 5 HG2 MET 11 HG2 MET 11 7.207 -2.715 -3.967 6 HG3 MET 11 HG3 MET 11 6.764 -4.088 -2.955 7 HE1 MET 11 HE1 MET 11 9.586 -5.526 -5.284 8 HE2 MET 11 HE2 MET 11 9.486 -3.862 -4.709 9 HE3 MET 11 HE3 MET 11 9.095 -5.196 -3.623 10 H LEU 12 H LEU 12 3.695 0.128 -4.475 11 HA LEU 12 HA LEU 12 1.082 -1.065 -5.000 12 HB2 LEU 12 HB2 LEU 12 1.268 1.542 -3.527 13 HB3 LEU 12 HB3 LEU 12 -0.145 0.519 -3.773 14 HG LEU 12 HG LEU 12 2.193 -0.320 -2.073 15 HD11 LEU 12 HD11 LEU 12 1.170 1.806 -1.256 16 HD12 LEU 12 HD12 LEU 12 1.026 0.449 -0.140 17 HD13 LEU 12 HD13 LEU 12 -0.363 0.947 -1.106 18 HD21 LEU 12 HD21 LEU 12 -0.141 -1.618 -3.018 19 HD22 LEU 12 HD22 LEU 12 -0.330 -1.368 -1.282 20 HD23 LEU 12 HD23 LEU 12 1.080 -2.230 -1.901 21 H ASP 13 H ASP 13 -0.301 1.235 -5.638 22 HA ASP 13 HA ASP 13 1.108 2.060 -8.067 23 HB2 ASP 13 HB2 ASP 13 -1.800 2.216 -7.261 24 HB3 ASP 13 HB3 ASP 13 -1.165 2.912 -8.749 25 H VAL 14 H VAL 14 2.029 3.217 -5.700 26 HA VAL 14 HA VAL 14 0.827 5.810 -5.348 27 HB VAL 14 HB VAL 14 2.823 6.259 -3.905 28 HG11 VAL 14 HG11 VAL 14 0.816 4.151 -3.510 29 HG12 VAL 14 HG12 VAL 14 2.194 4.086 -2.409 30 HG13 VAL 14 HG13 VAL 14 1.211 5.547 -2.508 31 HG21 VAL 14 HG21 VAL 14 4.123 4.423 -5.323 32 HG22 VAL 14 HG22 VAL 14 4.552 4.799 -3.654 33 HG23 VAL 14 HG23 VAL 14 3.558 3.387 -4.012 34 H GLY 15 H GLY 15 1.178 5.884 -7.909 35 HA2 GLY 15 HA2 GLY 15 2.225 7.957 -8.915 36 HA3 GLY 15 HA3 GLY 15 3.749 7.251 -8.398 37 H LYS 16 H LYS 16 2.768 7.978 -11.089 38 HA LYS 16 HA LYS 16 2.711 5.338 -12.376 39 HB2 LYS 16 HB2 LYS 16 1.348 7.787 -12.888 40 HB3 LYS 16 HB3 LYS 16 2.389 7.451 -14.265 41 HG2 LYS 16 HG2 LYS 16 0.559 6.309 -14.939 42 HG3 LYS 16 HG3 LYS 16 1.319 5.034 -13.984 43 HD2 LYS 16 HD2 LYS 16 -0.207 5.207 -12.287 44 HD3 LYS 16 HD3 LYS 16 -0.523 6.915 -12.599 45 HE2 LYS 16 HE2 LYS 16 -1.469 5.864 -14.877 46 HE3 LYS 16 HE3 LYS 16 -1.743 4.500 -13.795 47 HZ1 LYS 16 HZ1 LYS 16 -3.522 6.378 -14.081 48 HZ2 LYS 16 HZ2 LYS 16 -2.585 7.164 -12.913 49 HZ3 LYS 16 HZ3 LYS 16 -3.264 5.652 -12.574 50 H HIS 17 H HIS 17 4.370 4.628 -13.576 51 HA HIS 17 HA HIS 17 6.800 6.197 -13.626 52 HB2 HIS 17 HB2 HIS 17 6.391 3.478 -14.865 53 HB3 HIS 17 HB3 HIS 17 7.900 4.207 -14.324 54 HD1 HIS 17 HD1 HIS 17 4.671 2.841 -12.881 55 HD2 HIS 17 HD2 HIS 17 8.601 3.593 -11.763 56 HE1 HIS 17 HE1 HIS 17 4.916 1.856 -10.581 57 H CYS 18 H CYS 18 7.760 7.105 -15.377 58 HA CYS 18 HA CYS 18 6.271 7.988 -17.522 59 HB2 CYS 18 HB2 CYS 18 8.550 8.811 -16.725 60 HB3 CYS 18 HB3 CYS 18 9.244 7.505 -17.680 61 H ALA 19 H ALA 19 6.123 7.404 -19.706 62 HA ALA 19 HA ALA 19 6.485 4.536 -20.184 63 HB1 ALA 19 HB1 ALA 19 4.446 6.425 -20.854 64 HB2 ALA 19 HB2 ALA 19 5.092 5.709 -22.332 65 HB3 ALA 19 HB3 ALA 19 4.451 4.672 -21.057 66 H TYR 20 H TYR 20 8.492 6.883 -20.440 67 HA TYR 20 HA TYR 20 9.485 6.074 -23.088 68 HB2 TYR 20 HB2 TYR 20 8.529 8.343 -23.235 69 HB3 TYR 20 HB3 TYR 20 9.601 8.873 -21.943 70 HD1 TYR 20 HD1 TYR 20 11.276 10.235 -22.738 71 HD2 TYR 20 HD2 TYR 20 10.078 6.895 -25.085 72 HE1 TYR 20 HE1 TYR 20 13.006 10.788 -24.397 73 HE2 TYR 20 HE2 TYR 20 11.805 7.438 -26.750 74 HH TYR 20 HH TYR 20 14.189 9.934 -26.177 75 H CYS 21 H CYS 21 10.245 7.361 -19.889 76 HA CYS 21 HA CYS 21 12.993 6.343 -20.204 77 HB2 CYS 21 HB2 CYS 21 13.803 8.059 -18.818 78 HB3 CYS 21 HB3 CYS 21 12.630 8.864 -19.855 79 H ARG 22 H ARG 22 10.053 5.991 -18.569 80 HA ARG 22 HA ARG 22 9.357 4.635 -16.882 81 HB2 ARG 22 HB2 ARG 22 12.101 3.388 -17.117 82 HB3 ARG 22 HB3 ARG 22 10.694 2.673 -16.342 83 HG2 ARG 22 HG2 ARG 22 10.385 3.466 -19.171 84 HG3 ARG 22 HG3 ARG 22 11.444 2.094 -18.836 85 HD2 ARG 22 HD2 ARG 22 9.285 1.547 -17.255 86 HD3 ARG 22 HD3 ARG 22 8.530 2.321 -18.648 87 HE ARG 22 HE ARG 22 10.427 0.290 -19.362 88 HH11 ARG 22 HH11 ARG 22 7.129 0.916 -18.440 89 HH12 ARG 22 HH12 ARG 22 6.510 -0.519 -19.189 90 HH21 ARG 22 HH21 ARG 22 9.624 -1.602 -20.352 91 HH22 ARG 22 HH22 ARG 22 7.931 -1.951 -20.275 92 H GLN 23 H GLN 23 9.665 6.825 -15.758 93 HA GLN 23 HA GLN 23 11.539 6.484 -13.509 94 HB2 GLN 23 HB2 GLN 23 12.255 8.380 -14.769 95 HB3 GLN 23 HB3 GLN 23 10.614 8.999 -14.894 96 HG2 GLN 23 HG2 GLN 23 10.646 9.907 -12.824 97 HG3 GLN 23 HG3 GLN 23 11.698 8.653 -12.169 98 HE21 GLN 23 HE21 GLN 23 13.825 9.029 -12.016 99 HE22 GLN 23 HE22 GLN 23 14.616 10.459 -12.576 100 H LEU 24 H LEU 24 10.555 6.051 -11.660 101 HA LEU 24 HA LEU 24 7.760 6.210 -11.301 102 HB2 LEU 24 HB2 LEU 24 9.038 4.594 -10.083 103 HB3 LEU 24 HB3 LEU 24 10.016 5.857 -9.338 104 HG LEU 24 HG LEU 24 8.038 6.620 -8.085 105 HD11 LEU 24 HD11 LEU 24 5.975 5.964 -8.573 106 HD12 LEU 24 HD12 LEU 24 6.426 4.264 -8.450 107 HD13 LEU 24 HD13 LEU 24 6.633 5.122 -9.976 108 HD21 LEU 24 HD21 LEU 24 8.092 3.745 -7.446 109 HD22 LEU 24 HD22 LEU 24 8.413 5.145 -6.422 110 HD23 LEU 24 HD23 LEU 24 9.662 4.545 -7.515 111 H ASP 25 H ASP 25 6.716 8.096 -11.270 112 HA ASP 25 HA ASP 25 7.815 10.262 -9.598 113 HB2 ASP 25 HB2 ASP 25 7.314 10.397 -12.283 114 HB3 ASP 25 HB3 ASP 25 5.805 11.011 -11.613 115 H PHE 26 H PHE 26 6.244 11.629 -8.520 116 HA PHE 26 HA PHE 26 4.044 10.052 -7.473 117 HB2 PHE 26 HB2 PHE 26 4.827 12.849 -6.654 118 HB3 PHE 26 HB3 PHE 26 3.902 11.672 -5.727 119 HD1 PHE 26 HD1 PHE 26 7.250 12.564 -6.958 120 HD2 PHE 26 HD2 PHE 26 4.981 9.977 -4.452 121 HE1 PHE 26 HE1 PHE 26 9.324 11.786 -5.889 122 HE2 PHE 26 HE2 PHE 26 7.052 9.196 -3.378 123 HZ PHE 26 HZ PHE 26 9.227 10.101 -4.095 124 H LEU 27 H LEU 27 4.556 13.011 -9.313 125 HA LEU 27 HA LEU 27 1.644 13.234 -9.686 126 HB2 LEU 27 HB2 LEU 27 2.147 15.579 -10.394 127 HB3 LEU 27 HB3 LEU 27 2.474 15.220 -8.700 128 HG LEU 27 HG LEU 27 4.878 14.799 -10.144 129 HD11 LEU 27 HD11 LEU 27 5.023 17.363 -10.770 130 HD12 LEU 27 HD12 LEU 27 3.294 17.146 -11.039 131 HD13 LEU 27 HD13 LEU 27 4.455 16.156 -11.924 132 HD21 LEU 27 HD21 LEU 27 4.003 16.969 -8.240 133 HD22 LEU 27 HD22 LEU 27 5.672 16.629 -8.700 134 HD23 LEU 27 HD23 LEU 27 4.739 15.425 -7.809 135 HA PRO 28 HA PRO 28 3.236 11.747 -13.745 136 HB2 PRO 28 HB2 PRO 28 1.052 10.227 -14.282 137 HB3 PRO 28 HB3 PRO 28 2.412 9.646 -13.314 138 HG2 PRO 28 HG2 PRO 28 -0.230 10.724 -12.412 139 HG3 PRO 28 HG3 PRO 28 0.674 9.325 -11.803 140 HD2 PRO 28 HD2 PRO 28 0.677 11.722 -10.543 141 HD3 PRO 28 HD3 PRO 28 2.077 10.631 -10.523 142 H PHE 29 H PHE 29 2.938 12.944 -15.512 143 HA PHE 29 HA PHE 29 0.664 14.724 -15.686 144 HB2 PHE 29 HB2 PHE 29 3.252 14.421 -17.149 145 HB3 PHE 29 HB3 PHE 29 1.938 15.294 -17.931 146 HD1 PHE 29 HD1 PHE 29 1.298 17.467 -17.215 147 HD2 PHE 29 HD2 PHE 29 4.211 15.254 -15.039 148 HE1 PHE 29 HE1 PHE 29 1.896 19.496 -15.958 149 HE2 PHE 29 HE2 PHE 29 4.813 17.279 -13.779 150 HZ PHE 29 HZ PHE 29 3.655 19.403 -14.237 151 H HIS 30 H HIS 30 -1.191 13.949 -16.447 152 HA HIS 30 HA HIS 30 -1.239 11.765 -18.347 153 HB2 HIS 30 HB2 HIS 30 -2.876 11.707 -16.581 154 HB3 HIS 30 HB3 HIS 30 -3.441 13.325 -16.985 155 HD1 HIS 30 HD1 HIS 30 -3.702 9.759 -18.045 156 HD2 HIS 30 HD2 HIS 30 -5.159 13.474 -19.202 157 HE1 HIS 30 HE1 HIS 30 -5.555 9.276 -19.675 158 H CYS 31 H CYS 31 -1.227 12.029 -20.471 159 HA CYS 31 HA CYS 31 -1.618 14.665 -21.612 160 HB2 CYS 31 HB2 CYS 31 0.088 12.673 -22.249 161 HB3 CYS 31 HB3 CYS 31 -1.209 12.329 -23.388 162 H SER 32 H SER 32 -3.391 15.362 -22.626 163 HA SER 32 HA SER 32 -5.666 13.545 -22.825 164 HB2 SER 32 HB2 SER 32 -5.471 16.158 -21.992 165 HB3 SER 32 HB3 SER 32 -6.085 16.336 -23.635 166 HG SER 32 HG SER 32 -7.743 16.080 -22.028 167 H PHE 33 H PHE 33 -3.280 13.695 -24.716 168 HA PHE 33 HA PHE 33 -4.824 14.064 -27.199 169 HB2 PHE 33 HB2 PHE 33 -1.821 14.225 -27.048 170 HB3 PHE 33 HB3 PHE 33 -2.887 14.816 -28.318 171 HD1 PHE 33 HD1 PHE 33 -4.895 16.289 -26.752 172 HD2 PHE 33 HD2 PHE 33 -0.662 16.104 -26.341 173 HE1 PHE 33 HE1 PHE 33 -4.902 18.519 -25.711 174 HE2 PHE 33 HE2 PHE 33 -0.662 18.333 -25.299 175 HZ PHE 33 HZ PHE 33 -2.784 19.543 -24.982 176 H CYS 34 H CYS 34 -2.188 12.214 -25.699 177 HA CYS 34 HA CYS 34 -2.689 10.045 -27.619 178 HB2 CYS 34 HB2 CYS 34 -0.475 9.195 -26.996 179 HB3 CYS 34 HB3 CYS 34 -0.377 10.862 -27.552 180 H ASN 35 H ASN 35 -3.118 10.970 -24.377 181 HA ASN 35 HA ASN 35 -4.063 9.919 -22.593 182 HB2 ASN 35 HB2 ASN 35 -5.371 8.830 -24.633 183 HB3 ASN 35 HB3 ASN 35 -4.502 7.389 -24.114 184 HD21 ASN 35 HD21 ASN 35 -5.199 6.298 -22.381 185 HD22 ASN 35 HD22 ASN 35 -6.523 6.781 -21.381 186 H GLU 36 H GLU 36 -1.529 9.966 -22.286 187 HA GLU 36 HA GLU 36 -0.845 7.350 -21.203 188 HB2 GLU 36 HB2 GLU 36 0.809 8.818 -23.249 189 HB3 GLU 36 HB3 GLU 36 1.515 7.639 -22.152 190 HG2 GLU 36 HG2 GLU 36 -0.653 6.304 -23.190 191 HG3 GLU 36 HG3 GLU 36 -0.059 7.243 -24.559 192 H ASP 37 H ASP 37 0.801 7.421 -19.587 193 HA ASP 37 HA ASP 37 0.973 10.044 -18.299 194 HB2 ASP 37 HB2 ASP 37 1.816 8.631 -16.336 195 HB3 ASP 37 HB3 ASP 37 0.127 8.436 -16.796 196 H PHE 38 H PHE 38 2.891 11.014 -17.761 197 HA PHE 38 HA PHE 38 5.404 9.663 -18.294 198 HB2 PHE 38 HB2 PHE 38 4.689 12.219 -19.747 199 HB3 PHE 38 HB3 PHE 38 6.223 11.360 -19.842 200 HD1 PHE 38 HD1 PHE 38 6.228 9.025 -20.820 201 HD2 PHE 38 HD2 PHE 38 2.923 11.683 -21.173 202 HE1 PHE 38 HE1 PHE 38 5.374 7.706 -22.713 203 HE2 PHE 38 HE2 PHE 38 2.063 10.368 -23.066 204 HZ PHE 38 HZ PHE 38 3.288 8.376 -23.838 205 H CYS 39 H CYS 39 7.037 10.397 -17.035 206 HA CYS 39 HA CYS 39 6.562 11.838 -14.743 207 HB2 CYS 39 HB2 CYS 39 8.902 11.867 -14.385 208 HB3 CYS 39 HB3 CYS 39 8.590 10.408 -15.319 209 H SER 40 H SER 40 7.355 13.950 -14.057 210 HA SER 40 HA SER 40 6.357 16.045 -15.563 211 HB2 SER 40 HB2 SER 40 8.588 16.818 -13.817 212 HB3 SER 40 HB3 SER 40 6.896 17.312 -13.771 213 HG SER 40 HG SER 40 6.753 16.028 -12.123 214 H ASN 41 H ASN 41 9.593 14.682 -15.504 215 HA ASN 41 HA ASN 41 10.919 16.703 -16.934 216 HB2 ASN 41 HB2 ASN 41 11.590 14.215 -15.835 217 HB3 ASN 41 HB3 ASN 41 11.951 14.068 -17.553 218 HD21 ASN 41 HD21 ASN 41 13.345 14.698 -14.753 219 HD22 ASN 41 HD22 ASN 41 14.566 15.822 -15.234 220 H HIS 42 H HIS 42 8.819 14.129 -17.953 221 HA HIS 42 HA HIS 42 9.269 14.909 -20.760 222 HB2 HIS 42 HB2 HIS 42 8.538 12.227 -19.584 223 HB3 HIS 42 HB3 HIS 42 8.358 12.595 -21.297 224 HD2 HIS 42 HD2 HIS 42 11.037 13.590 -22.353 225 HE1 HIS 42 HE1 HIS 42 13.021 10.790 -19.859 226 HE2 HIS 42 HE2 HIS 42 13.235 12.323 -21.847 227 H ARG 43 H ARG 43 7.384 15.911 -18.613 228 HA ARG 43 HA ARG 43 4.763 15.103 -19.113 229 HB2 ARG 43 HB2 ARG 43 4.087 17.254 -18.159 230 HB3 ARG 43 HB3 ARG 43 5.382 16.525 -17.220 231 HG2 ARG 43 HG2 ARG 43 6.943 18.003 -18.644 232 HG3 ARG 43 HG3 ARG 43 5.474 18.903 -19.028 233 HD2 ARG 43 HD2 ARG 43 5.119 19.485 -16.775 234 HD3 ARG 43 HD3 ARG 43 6.273 18.283 -16.200 235 HE ARG 43 HE ARG 43 7.551 20.191 -17.861 236 HH11 ARG 43 HH11 ARG 43 6.224 19.764 -14.671 237 HH12 ARG 43 HH12 ARG 43 7.258 20.946 -13.940 238 HH21 ARG 43 HH21 ARG 43 8.918 21.750 -16.911 239 HH22 ARG 43 HH22 ARG 43 8.789 22.076 -15.215 240 H LEU 44 H LEU 44 6.777 17.486 -20.758 241 HA LEU 44 HA LEU 44 4.912 18.743 -22.352 242 HB2 LEU 44 HB2 LEU 44 7.650 17.908 -23.281 243 HB3 LEU 44 HB3 LEU 44 6.696 19.275 -23.852 244 HG LEU 44 HG LEU 44 7.942 19.009 -21.116 245 HD11 LEU 44 HD11 LEU 44 8.720 21.141 -23.006 246 HD12 LEU 44 HD12 LEU 44 9.290 19.512 -23.369 247 HD13 LEU 44 HD13 LEU 44 9.686 20.261 -21.822 248 HD21 LEU 44 HD21 LEU 44 5.746 20.539 -21.936 249 HD22 LEU 44 HD22 LEU 44 7.111 21.654 -21.872 250 HD23 LEU 44 HD23 LEU 44 6.677 20.707 -20.448 251 H LYS 45 H LYS 45 4.588 18.462 -24.731 252 HA LYS 45 HA LYS 45 3.549 15.859 -25.251 253 HB2 LYS 45 HB2 LYS 45 3.354 18.485 -26.404 254 HB3 LYS 45 HB3 LYS 45 3.678 17.310 -27.672 255 HG2 LYS 45 HG2 LYS 45 1.746 16.022 -26.297 256 HG3 LYS 45 HG3 LYS 45 1.280 17.702 -26.020 257 HD2 LYS 45 HD2 LYS 45 1.859 16.538 -28.741 258 HD3 LYS 45 HD3 LYS 45 0.243 16.655 -28.041 259 HE2 LYS 45 HE2 LYS 45 2.068 19.022 -28.406 260 HE3 LYS 45 HE3 LYS 45 0.889 18.513 -29.615 261 HZ1 LYS 45 HZ1 LYS 45 -0.858 18.806 -27.952 262 HZ2 LYS 45 HZ2 LYS 45 -0.018 20.248 -28.227 263 HZ3 LYS 45 HZ3 LYS 45 0.286 19.346 -26.828 264 H GLU 46 H GLU 46 5.989 17.765 -27.032 265 HA GLU 46 HA GLU 46 6.908 15.692 -28.645 266 HB2 GLU 46 HB2 GLU 46 8.917 17.060 -28.988 267 HB3 GLU 46 HB3 GLU 46 7.453 18.030 -29.075 268 HG2 GLU 46 HG2 GLU 46 7.903 18.551 -26.599 269 HG3 GLU 46 HG3 GLU 46 9.527 17.947 -26.922 270 H ASP 47 H ASP 47 7.651 16.479 -25.336 271 HA ASP 47 HA ASP 47 10.053 15.207 -24.917 272 HB2 ASP 47 HB2 ASP 47 7.733 15.912 -23.265 273 HB3 ASP 47 HB3 ASP 47 8.653 14.542 -22.647 274 H HIS 48 H HIS 48 6.817 13.731 -24.674 275 HA HIS 48 HA HIS 48 8.046 11.079 -24.667 276 HB2 HIS 48 HB2 HIS 48 5.794 10.260 -24.109 277 HB3 HIS 48 HB3 HIS 48 6.321 11.511 -22.987 278 HD1 HIS 48 HD1 HIS 48 4.830 13.505 -22.728 279 HD2 HIS 48 HD2 HIS 48 3.840 11.200 -26.040 280 HE1 HIS 48 HE1 HIS 48 2.676 14.468 -23.597 281 H HIS 49 H HIS 49 7.785 12.943 -27.044 282 HA HIS 49 HA HIS 49 7.262 12.853 -29.262 283 HB2 HIS 49 HB2 HIS 49 7.415 9.873 -28.758 284 HB3 HIS 49 HB3 HIS 49 7.553 10.666 -30.324 285 HD1 HIS 49 HD1 HIS 49 9.785 11.825 -30.875 286 HD2 HIS 49 HD2 HIS 49 9.694 10.034 -27.127 287 HE1 HIS 49 HE1 HIS 49 12.173 11.793 -30.086 288 H CYS 50 H CYS 50 5.047 13.482 -28.045 289 HA CYS 50 HA CYS 50 2.862 11.796 -28.026 290 HB2 CYS 50 HB2 CYS 50 3.058 14.257 -27.275 291 HB3 CYS 50 HB3 CYS 50 2.636 14.655 -28.937 292 H ARG 51 H ARG 51 1.790 10.719 -29.540 293 HA ARG 51 HA ARG 51 2.502 10.612 -32.208 294 HB2 ARG 51 HB2 ARG 51 0.285 9.513 -32.568 295 HB3 ARG 51 HB3 ARG 51 1.213 8.840 -31.234 296 HG2 ARG 51 HG2 ARG 51 -0.143 10.099 -29.645 297 HG3 ARG 51 HG3 ARG 51 -1.066 10.793 -30.979 298 HD2 ARG 51 HD2 ARG 51 -2.379 9.015 -30.181 299 HD3 ARG 51 HD3 ARG 51 -1.610 8.401 -31.644 300 HE ARG 51 HE ARG 51 0.070 7.658 -29.626 301 HH11 ARG 51 HH11 ARG 51 -3.311 7.192 -30.311 302 HH12 ARG 51 HH12 ARG 51 -3.399 5.663 -29.500 303 HH21 ARG 51 HH21 ARG 51 -0.032 5.646 -28.556 304 HH22 ARG 51 HH22 ARG 51 -1.533 4.785 -28.502 305 H TRP 52 H TRP 52 0.154 12.680 -30.611 306 HA TRP 52 HA TRP 52 -1.160 13.678 -32.873 307 HB2 TRP 52 HB2 TRP 52 -1.779 13.995 -30.415 308 HB3 TRP 52 HB3 TRP 52 -0.591 15.295 -30.391 309 HD1 TRP 52 HD1 TRP 52 -4.100 14.478 -31.548 310 HE1 TRP 52 HE1 TRP 52 -5.206 16.610 -32.474 311 HE3 TRP 52 HE3 TRP 52 -0.006 17.539 -31.644 312 HZ2 TRP 52 HZ2 TRP 52 -4.443 19.240 -33.156 313 HZ3 TRP 52 HZ3 TRP 52 -0.279 19.848 -32.448 314 HH2 TRP 52 HH2 TRP 52 -2.452 20.679 -33.189 315 H LEU 53 H LEU 53 1.816 14.709 -31.275 316 HA LEU 53 HA LEU 53 2.212 17.062 -32.786 317 HB2 LEU 53 HB2 LEU 53 3.678 15.488 -30.848 318 HB3 LEU 53 HB3 LEU 53 4.738 16.120 -32.106 319 HG LEU 53 HG LEU 53 2.941 17.746 -30.308 320 HD11 LEU 53 HD11 LEU 53 5.948 17.627 -30.419 321 HD12 LEU 53 HD12 LEU 53 4.964 16.756 -29.244 322 HD13 LEU 53 HD13 LEU 53 4.950 18.519 -29.270 323 HD21 LEU 53 HD21 LEU 53 4.614 18.438 -32.684 324 HD22 LEU 53 HD22 LEU 53 4.418 19.605 -31.376 325 HD23 LEU 53 HD23 LEU 53 3.003 19.004 -32.241 326 H LEU 54 H LEU 54 3.130 13.704 -33.299 327 HA LEU 54 HA LEU 54 4.813 14.207 -35.542 328 HB2 LEU 54 HB2 LEU 54 3.393 11.613 -35.100 329 HB3 LEU 54 HB3 LEU 54 5.005 11.903 -35.751 330 HG LEU 54 HG LEU 54 4.165 12.117 -32.861 331 HD11 LEU 54 HD11 LEU 54 6.181 10.328 -32.958 332 HD12 LEU 54 HD12 LEU 54 5.403 10.020 -34.510 333 HD13 LEU 54 HD13 LEU 54 4.472 9.895 -33.017 334 HD21 LEU 54 HD21 LEU 54 6.790 12.702 -34.218 335 HD22 LEU 54 HD22 LEU 54 6.619 12.446 -32.481 336 HD23 LEU 54 HD23 LEU 54 5.802 13.804 -33.257 337 H GLU 55 H GLU 55 1.524 12.850 -35.283 338 HA GLU 55 HA GLU 55 1.011 12.721 -38.030 339 HB2 GLU 55 HB2 GLU 55 -1.324 12.502 -37.437 340 HB3 GLU 55 HB3 GLU 55 -0.347 11.592 -36.293 341 HG2 GLU 55 HG2 GLU 55 -0.495 13.612 -34.774 342 HG3 GLU 55 HG3 GLU 55 -1.737 14.216 -35.869 343 H HIS 56 H HIS 56 0.636 15.345 -35.723 344 HA HIS 56 HA HIS 56 -0.077 17.124 -37.961 345 HB2 HIS 56 HB2 HIS 56 -1.294 16.801 -35.300 346 HB3 HIS 56 HB3 HIS 56 -0.979 18.471 -35.762 347 HD1 HIS 56 HD1 HIS 56 -2.733 19.542 -37.146 348 HD2 HIS 56 HD2 HIS 56 -2.902 15.396 -37.359 349 HE1 HIS 56 HE1 HIS 56 -4.776 19.022 -38.517 350 H GLU 57 H GLU 57 2.237 17.411 -38.222 351 HA GLU 57 HA GLU 57 3.478 19.051 -36.121 352 HB2 GLU 57 HB2 GLU 57 5.613 18.555 -37.395 353 HB3 GLU 57 HB3 GLU 57 4.858 17.186 -36.590 354 HG2 GLU 57 HG2 GLU 57 4.550 16.093 -38.501 355 HG3 GLU 57 HG3 GLU 57 3.939 17.527 -39.325 356 H GLU 58 H GLU 58 2.954 21.125 -36.511 357 HA GLU 58 HA GLU 58 2.556 22.228 -39.086 358 HB2 GLU 58 HB2 GLU 58 2.309 23.088 -36.380 359 HB3 GLU 58 HB3 GLU 58 3.270 24.281 -37.243 360 HG2 GLU 58 HG2 GLU 58 0.916 24.854 -37.297 361 HG3 GLU 58 HG3 GLU 58 1.515 24.503 -38.917 362 H VAL 59 H VAL 59 3.858 23.532 -40.350 363 HA VAL 59 HA VAL 59 6.647 22.981 -40.273 364 HB VAL 59 HB VAL 59 6.823 24.507 -42.185 365 HG11 VAL 59 HG11 VAL 59 4.880 22.304 -42.046 366 HG12 VAL 59 HG12 VAL 59 4.741 23.348 -43.462 367 HG13 VAL 59 HG13 VAL 59 6.265 22.533 -43.112 368 HG21 VAL 59 HG21 VAL 59 4.549 25.702 -41.043 369 HG22 VAL 59 HG22 VAL 59 5.400 26.183 -42.510 370 HG23 VAL 59 HG23 VAL 59 4.044 25.061 -42.606 Start of MODEL 5 1 H MET 11 H MET 11 -6.173 -0.590 -6.263 2 HA MET 11 HA MET 11 -3.435 -1.528 -6.412 3 HB2 MET 11 HB2 MET 11 -5.122 0.349 -8.030 4 HB3 MET 11 HB3 MET 11 -3.372 0.369 -8.208 5 HG2 MET 11 HG2 MET 11 -4.017 -2.311 -8.364 6 HG3 MET 11 HG3 MET 11 -5.325 -1.508 -9.229 7 HE1 MET 11 HE1 MET 11 -1.489 -1.453 -8.721 8 HE2 MET 11 HE2 MET 11 -1.776 -2.953 -9.604 9 HE3 MET 11 HE3 MET 11 -0.890 -1.633 -10.370 10 H LEU 12 H LEU 12 -1.688 0.200 -6.637 11 HA LEU 12 HA LEU 12 -2.122 2.480 -4.855 12 HB2 LEU 12 HB2 LEU 12 0.196 1.889 -3.864 13 HB3 LEU 12 HB3 LEU 12 -1.246 1.073 -3.261 14 HG LEU 12 HG LEU 12 0.299 -0.243 -5.435 15 HD11 LEU 12 HD11 LEU 12 2.204 -0.155 -4.276 16 HD12 LEU 12 HD12 LEU 12 1.428 -1.279 -3.161 17 HD13 LEU 12 HD13 LEU 12 1.401 0.453 -2.828 18 HD21 LEU 12 HD21 LEU 12 -1.431 -1.601 -4.905 19 HD22 LEU 12 HD22 LEU 12 -1.576 -0.963 -3.267 20 HD23 LEU 12 HD23 LEU 12 -0.317 -2.139 -3.647 21 H ASP 13 H ASP 13 -1.550 4.198 -5.999 22 HA ASP 13 HA ASP 13 0.571 3.958 -8.003 23 HB2 ASP 13 HB2 ASP 13 -1.698 5.868 -7.578 24 HB3 ASP 13 HB3 ASP 13 -0.303 6.376 -8.527 25 H VAL 14 H VAL 14 2.014 3.822 -5.992 26 HA VAL 14 HA VAL 14 2.539 6.334 -4.662 27 HB VAL 14 HB VAL 14 4.414 5.087 -3.582 28 HG11 VAL 14 HG11 VAL 14 3.023 3.818 -2.135 29 HG12 VAL 14 HG12 VAL 14 2.061 5.189 -2.692 30 HG13 VAL 14 HG13 VAL 14 1.809 3.590 -3.394 31 HG21 VAL 14 HG21 VAL 14 4.065 3.351 -5.746 32 HG22 VAL 14 HG22 VAL 14 5.151 3.142 -4.372 33 HG23 VAL 14 HG23 VAL 14 3.530 2.450 -4.327 34 H GLY 15 H GLY 15 2.839 6.991 -7.181 35 HA2 GLY 15 HA2 GLY 15 4.561 8.345 -8.150 36 HA3 GLY 15 HA3 GLY 15 5.754 7.239 -7.486 37 H LYS 16 H LYS 16 4.597 8.266 -10.290 38 HA LYS 16 HA LYS 16 4.622 5.627 -11.587 39 HB2 LYS 16 HB2 LYS 16 3.023 7.956 -11.967 40 HB3 LYS 16 HB3 LYS 16 3.969 7.704 -13.428 41 HG2 LYS 16 HG2 LYS 16 2.280 5.581 -12.125 42 HG3 LYS 16 HG3 LYS 16 1.737 6.615 -13.449 43 HD2 LYS 16 HD2 LYS 16 3.567 5.762 -14.848 44 HD3 LYS 16 HD3 LYS 16 4.082 4.714 -13.524 45 HE2 LYS 16 HE2 LYS 16 2.808 3.270 -14.789 46 HE3 LYS 16 HE3 LYS 16 1.624 3.853 -13.620 47 HZ1 LYS 16 HZ1 LYS 16 0.421 4.266 -15.449 48 HZ2 LYS 16 HZ2 LYS 16 1.762 4.282 -16.478 49 HZ3 LYS 16 HZ3 LYS 16 1.373 5.659 -15.576 50 H HIS 17 H HIS 17 6.103 5.123 -13.139 51 HA HIS 17 HA HIS 17 8.431 6.863 -13.305 52 HB2 HIS 17 HB2 HIS 17 8.127 4.135 -14.555 53 HB3 HIS 17 HB3 HIS 17 9.617 4.979 -14.143 54 HD1 HIS 17 HD1 HIS 17 6.658 3.341 -12.428 55 HD2 HIS 17 HD2 HIS 17 10.608 4.386 -11.676 56 HE1 HIS 17 HE1 HIS 17 7.200 2.348 -10.182 57 H CYS 18 H CYS 18 9.150 7.860 -15.125 58 HA CYS 18 HA CYS 18 7.394 8.650 -17.100 59 HB2 CYS 18 HB2 CYS 18 9.656 9.654 -16.516 60 HB3 CYS 18 HB3 CYS 18 10.372 8.405 -17.530 61 H ALA 19 H ALA 19 7.028 8.056 -19.240 62 HA ALA 19 HA ALA 19 7.581 5.240 -19.815 63 HB1 ALA 19 HB1 ALA 19 5.443 5.256 -20.415 64 HB2 ALA 19 HB2 ALA 19 5.367 7.015 -20.306 65 HB3 ALA 19 HB3 ALA 19 5.901 6.247 -21.801 66 H TYR 20 H TYR 20 9.388 7.712 -20.215 67 HA TYR 20 HA TYR 20 10.155 7.028 -22.971 68 HB2 TYR 20 HB2 TYR 20 9.057 9.220 -22.998 69 HB3 TYR 20 HB3 TYR 20 10.164 9.801 -21.758 70 HD1 TYR 20 HD1 TYR 20 12.506 10.264 -22.300 71 HD2 TYR 20 HD2 TYR 20 9.761 9.001 -25.296 72 HE1 TYR 20 HE1 TYR 20 14.081 10.994 -24.042 73 HE2 TYR 20 HE2 TYR 20 11.329 9.726 -27.046 74 HH TYR 20 HH TYR 20 14.551 10.928 -26.244 75 H CYS 21 H CYS 21 11.179 8.404 -19.871 76 HA CYS 21 HA CYS 21 13.931 7.543 -20.475 77 HB2 CYS 21 HB2 CYS 21 14.760 9.284 -19.120 78 HB3 CYS 21 HB3 CYS 21 13.455 10.023 -20.043 79 H ARG 22 H ARG 22 11.209 6.983 -18.535 80 HA ARG 22 HA ARG 22 10.787 5.546 -16.824 81 HB2 ARG 22 HB2 ARG 22 13.578 4.498 -17.321 82 HB3 ARG 22 HB3 ARG 22 12.274 3.667 -16.483 83 HG2 ARG 22 HG2 ARG 22 11.508 4.479 -19.158 84 HG3 ARG 22 HG3 ARG 22 12.928 3.429 -19.151 85 HD2 ARG 22 HD2 ARG 22 10.330 2.832 -17.741 86 HD3 ARG 22 HD3 ARG 22 10.791 2.189 -19.317 87 HE ARG 22 HE ARG 22 12.852 1.470 -17.709 88 HH11 ARG 22 HH11 ARG 22 9.399 1.066 -17.532 89 HH12 ARG 22 HH12 ARG 22 9.487 -0.425 -16.655 90 HH21 ARG 22 HH21 ARG 22 12.981 -0.493 -16.554 91 HH22 ARG 22 HH22 ARG 22 11.525 -1.311 -16.098 92 H GLN 23 H GLN 23 11.059 7.744 -15.697 93 HA GLN 23 HA GLN 23 13.169 7.506 -13.654 94 HB2 GLN 23 HB2 GLN 23 13.625 9.462 -14.942 95 HB3 GLN 23 HB3 GLN 23 11.941 9.966 -14.892 96 HG2 GLN 23 HG2 GLN 23 12.111 10.827 -12.803 97 HG3 GLN 23 HG3 GLN 23 13.341 9.667 -12.303 98 HE21 GLN 23 HE21 GLN 23 14.907 10.963 -11.565 99 HE22 GLN 23 HE22 GLN 23 15.697 12.187 -12.493 100 H LEU 24 H LEU 24 12.386 6.936 -11.745 101 HA LEU 24 HA LEU 24 9.649 6.903 -11.098 102 HB2 LEU 24 HB2 LEU 24 11.603 5.550 -10.111 103 HB3 LEU 24 HB3 LEU 24 11.836 6.936 -9.048 104 HG LEU 24 HG LEU 24 9.187 5.537 -9.212 105 HD11 LEU 24 HD11 LEU 24 11.447 4.816 -7.353 106 HD12 LEU 24 HD12 LEU 24 10.927 3.849 -8.733 107 HD13 LEU 24 HD13 LEU 24 9.829 4.114 -7.378 108 HD21 LEU 24 HD21 LEU 24 8.658 7.152 -7.783 109 HD22 LEU 24 HD22 LEU 24 10.329 7.714 -7.716 110 HD23 LEU 24 HD23 LEU 24 9.784 6.432 -6.632 111 H ASP 25 H ASP 25 8.471 8.700 -10.934 112 HA ASP 25 HA ASP 25 9.566 10.938 -9.359 113 HB2 ASP 25 HB2 ASP 25 8.962 11.184 -11.917 114 HB3 ASP 25 HB3 ASP 25 7.322 11.341 -11.293 115 H PHE 26 H PHE 26 8.063 12.132 -8.048 116 HA PHE 26 HA PHE 26 6.114 10.390 -6.801 117 HB2 PHE 26 HB2 PHE 26 6.785 13.240 -6.059 118 HB3 PHE 26 HB3 PHE 26 6.010 12.025 -5.048 119 HD1 PHE 26 HD1 PHE 26 9.183 13.053 -6.603 120 HD2 PHE 26 HD2 PHE 26 7.284 10.419 -3.851 121 HE1 PHE 26 HE1 PHE 26 11.384 12.389 -5.725 122 HE2 PHE 26 HE2 PHE 26 9.481 9.751 -2.969 123 HZ PHE 26 HZ PHE 26 11.535 10.735 -3.906 124 H LEU 27 H LEU 27 6.160 13.413 -8.619 125 HA LEU 27 HA LEU 27 3.217 13.366 -8.684 126 HB2 LEU 27 HB2 LEU 27 5.172 15.493 -8.414 127 HB3 LEU 27 HB3 LEU 27 4.040 15.798 -9.730 128 HG LEU 27 HG LEU 27 3.185 15.176 -6.908 129 HD11 LEU 27 HD11 LEU 27 3.948 17.209 -6.394 130 HD12 LEU 27 HD12 LEU 27 2.603 17.814 -7.359 131 HD13 LEU 27 HD13 LEU 27 4.202 17.643 -8.084 132 HD21 LEU 27 HD21 LEU 27 1.787 16.049 -9.412 133 HD22 LEU 27 HD22 LEU 27 1.106 16.386 -7.821 134 HD23 LEU 27 HD23 LEU 27 1.392 14.719 -8.323 135 HA PRO 28 HA PRO 28 4.467 12.072 -12.919 136 HB2 PRO 28 HB2 PRO 28 2.350 10.407 -13.260 137 HB3 PRO 28 HB3 PRO 28 3.842 9.911 -12.450 138 HG2 PRO 28 HG2 PRO 28 1.239 10.785 -11.257 139 HG3 PRO 28 HG3 PRO 28 2.297 9.446 -10.775 140 HD2 PRO 28 HD2 PRO 28 2.264 11.820 -9.472 141 HD3 PRO 28 HD3 PRO 28 3.731 10.831 -9.619 142 H PHE 29 H PHE 29 3.904 13.268 -14.620 143 HA PHE 29 HA PHE 29 1.471 14.846 -14.525 144 HB2 PHE 29 HB2 PHE 29 3.930 14.847 -16.242 145 HB3 PHE 29 HB3 PHE 29 2.480 15.681 -16.791 146 HD1 PHE 29 HD1 PHE 29 1.867 17.776 -15.907 147 HD2 PHE 29 HD2 PHE 29 5.003 15.537 -14.100 148 HE1 PHE 29 HE1 PHE 29 2.481 19.736 -14.552 149 HE2 PHE 29 HE2 PHE 29 5.621 17.492 -12.741 150 HZ PHE 29 HZ PHE 29 4.360 19.596 -12.967 151 H HIS 30 H HIS 30 -0.348 13.899 -15.173 152 HA HIS 30 HA HIS 30 -0.321 11.810 -17.178 153 HB2 HIS 30 HB2 HIS 30 -1.793 11.475 -15.312 154 HB3 HIS 30 HB3 HIS 30 -2.542 13.051 -15.548 155 HD1 HIS 30 HD1 HIS 30 -2.650 9.537 -16.719 156 HD2 HIS 30 HD2 HIS 30 -4.367 13.185 -17.720 157 HE1 HIS 30 HE1 HIS 30 -4.565 8.981 -18.252 158 H CYS 31 H CYS 31 -0.576 12.137 -19.281 159 HA CYS 31 HA CYS 31 -1.285 14.774 -20.255 160 HB2 CYS 31 HB2 CYS 31 0.529 13.037 -21.149 161 HB3 CYS 31 HB3 CYS 31 -0.837 12.491 -22.116 162 H SER 32 H SER 32 -3.204 15.361 -21.047 163 HA SER 32 HA SER 32 -5.335 13.369 -21.114 164 HB2 SER 32 HB2 SER 32 -5.335 15.848 -20.071 165 HB3 SER 32 HB3 SER 32 -5.923 16.223 -21.691 166 HG SER 32 HG SER 32 -7.661 15.743 -20.341 167 H PHE 33 H PHE 33 -3.185 13.760 -23.219 168 HA PHE 33 HA PHE 33 -4.990 14.138 -25.518 169 HB2 PHE 33 HB2 PHE 33 -2.001 14.488 -25.643 170 HB3 PHE 33 HB3 PHE 33 -3.217 15.050 -26.785 171 HD1 PHE 33 HD1 PHE 33 -5.158 16.342 -25.009 172 HD2 PHE 33 HD2 PHE 33 -0.903 16.401 -24.942 173 HE1 PHE 33 HE1 PHE 33 -5.210 18.528 -23.880 174 HE2 PHE 33 HE2 PHE 33 -0.947 18.586 -23.813 175 HZ PHE 33 HZ PHE 33 -3.102 19.652 -23.280 176 H CYS 34 H CYS 34 -2.114 12.395 -24.373 177 HA CYS 34 HA CYS 34 -2.690 10.276 -26.331 178 HB2 CYS 34 HB2 CYS 34 -0.367 9.550 -25.988 179 HB3 CYS 34 HB3 CYS 34 -0.443 11.232 -26.502 180 H ASN 35 H ASN 35 -2.877 11.050 -23.046 181 HA ASN 35 HA ASN 35 -3.550 9.869 -21.221 182 HB2 ASN 35 HB2 ASN 35 -4.938 8.718 -23.171 183 HB3 ASN 35 HB3 ASN 35 -3.897 7.351 -22.786 184 HD21 ASN 35 HD21 ASN 35 -4.041 6.388 -20.751 185 HD22 ASN 35 HD22 ASN 35 -5.414 6.625 -19.729 186 H GLU 36 H GLU 36 -1.010 10.145 -21.147 187 HA GLU 36 HA GLU 36 0.002 7.583 -20.205 188 HB2 GLU 36 HB2 GLU 36 1.326 9.222 -22.360 189 HB3 GLU 36 HB3 GLU 36 2.219 8.073 -21.374 190 HG2 GLU 36 HG2 GLU 36 0.090 6.582 -22.230 191 HG3 GLU 36 HG3 GLU 36 0.418 7.619 -23.617 192 H ASP 37 H ASP 37 1.692 7.761 -18.687 193 HA ASP 37 HA ASP 37 1.836 10.402 -17.429 194 HB2 ASP 37 HB2 ASP 37 2.518 7.644 -16.394 195 HB3 ASP 37 HB3 ASP 37 2.761 9.128 -15.477 196 H PHE 38 H PHE 38 3.754 11.437 -16.986 197 HA PHE 38 HA PHE 38 6.273 10.191 -17.708 198 HB2 PHE 38 HB2 PHE 38 5.370 12.737 -19.070 199 HB3 PHE 38 HB3 PHE 38 6.920 11.931 -19.286 200 HD1 PHE 38 HD1 PHE 38 6.962 9.653 -20.346 201 HD2 PHE 38 HD2 PHE 38 3.493 12.119 -20.328 202 HE1 PHE 38 HE1 PHE 38 6.018 8.332 -22.194 203 HE2 PHE 38 HE2 PHE 38 2.543 10.801 -22.175 204 HZ PHE 38 HZ PHE 38 3.805 8.905 -23.110 205 H CYS 39 H CYS 39 8.018 11.068 -16.663 206 HA CYS 39 HA CYS 39 7.682 12.376 -14.268 207 HB2 CYS 39 HB2 CYS 39 10.040 12.635 -14.184 208 HB3 CYS 39 HB3 CYS 39 9.751 11.169 -15.115 209 H SER 40 H SER 40 8.302 14.526 -13.570 210 HA SER 40 HA SER 40 6.961 16.565 -14.856 211 HB2 SER 40 HB2 SER 40 8.052 18.089 -13.342 212 HB3 SER 40 HB3 SER 40 7.768 16.580 -12.476 213 HG SER 40 HG SER 40 9.932 16.040 -12.790 214 H ASN 41 H ASN 41 10.423 15.790 -15.007 215 HA ASN 41 HA ASN 41 11.288 17.903 -16.575 216 HB2 ASN 41 HB2 ASN 41 12.328 15.092 -16.904 217 HB3 ASN 41 HB3 ASN 41 13.212 16.607 -17.068 218 HD21 ASN 41 HD21 ASN 41 13.913 17.680 -15.243 219 HD22 ASN 41 HD22 ASN 41 13.927 16.945 -13.680 220 H HIS 42 H HIS 42 9.432 15.106 -17.456 221 HA HIS 42 HA HIS 42 9.556 15.930 -20.283 222 HB2 HIS 42 HB2 HIS 42 9.206 13.218 -19.024 223 HB3 HIS 42 HB3 HIS 42 8.712 13.528 -20.686 224 HD2 HIS 42 HD2 HIS 42 11.206 15.022 -21.938 225 HE1 HIS 42 HE1 HIS 42 13.599 11.974 -20.210 226 HE2 HIS 42 HE2 HIS 42 13.496 13.818 -21.924 227 H ARG 43 H ARG 43 7.788 16.804 -17.984 228 HA ARG 43 HA ARG 43 5.197 15.801 -18.296 229 HB2 ARG 43 HB2 ARG 43 4.444 17.752 -17.130 230 HB3 ARG 43 HB3 ARG 43 5.994 17.285 -16.442 231 HG2 ARG 43 HG2 ARG 43 7.096 19.020 -17.789 232 HG3 ARG 43 HG3 ARG 43 5.520 19.507 -18.418 233 HD2 ARG 43 HD2 ARG 43 5.892 19.376 -15.469 234 HD3 ARG 43 HD3 ARG 43 6.624 20.720 -16.346 235 HE ARG 43 HE ARG 43 3.865 20.312 -17.008 236 HH11 ARG 43 HH11 ARG 43 6.058 21.789 -14.743 237 HH12 ARG 43 HH12 ARG 43 4.932 23.009 -14.248 238 HH21 ARG 43 HH21 ARG 43 2.373 21.913 -16.364 239 HH22 ARG 43 HH22 ARG 43 2.835 23.078 -15.170 240 H LEU 44 H LEU 44 6.959 18.253 -20.087 241 HA LEU 44 HA LEU 44 4.890 19.466 -21.476 242 HB2 LEU 44 HB2 LEU 44 7.573 18.792 -22.660 243 HB3 LEU 44 HB3 LEU 44 6.511 20.129 -23.095 244 HG LEU 44 HG LEU 44 8.001 19.842 -20.486 245 HD11 LEU 44 HD11 LEU 44 8.514 22.003 -22.462 246 HD12 LEU 44 HD12 LEU 44 9.199 20.406 -22.763 247 HD13 LEU 44 HD13 LEU 44 9.596 21.270 -21.278 248 HD21 LEU 44 HD21 LEU 44 6.073 21.883 -21.539 249 HD22 LEU 44 HD22 LEU 44 7.287 22.302 -20.329 250 HD23 LEU 44 HD23 LEU 44 6.080 21.064 -19.977 251 H LYS 45 H LYS 45 4.514 19.210 -23.897 252 HA LYS 45 HA LYS 45 3.515 16.567 -24.362 253 HB2 LYS 45 HB2 LYS 45 3.163 19.201 -25.493 254 HB3 LYS 45 HB3 LYS 45 3.389 18.011 -26.768 255 HG2 LYS 45 HG2 LYS 45 1.541 16.709 -25.951 256 HG3 LYS 45 HG3 LYS 45 1.365 17.771 -24.552 257 HD2 LYS 45 HD2 LYS 45 -0.307 18.401 -26.126 258 HD3 LYS 45 HD3 LYS 45 0.937 19.653 -26.163 259 HE2 LYS 45 HE2 LYS 45 1.842 17.938 -28.069 260 HE3 LYS 45 HE3 LYS 45 0.097 17.753 -28.240 261 HZ1 LYS 45 HZ1 LYS 45 1.082 19.526 -29.643 262 HZ2 LYS 45 HZ2 LYS 45 1.485 20.376 -28.237 263 HZ3 LYS 45 HZ3 LYS 45 -0.138 20.078 -28.610 264 H GLU 46 H GLU 46 5.742 18.600 -26.276 265 HA GLU 46 HA GLU 46 6.639 16.612 -27.991 266 HB2 GLU 46 HB2 GLU 46 8.413 18.069 -28.579 267 HB3 GLU 46 HB3 GLU 46 7.055 19.103 -28.159 268 HG2 GLU 46 HG2 GLU 46 8.076 19.307 -25.863 269 HG3 GLU 46 HG3 GLU 46 9.508 18.523 -26.528 270 H ASP 47 H ASP 47 7.554 17.314 -24.705 271 HA ASP 47 HA ASP 47 10.010 16.100 -24.471 272 HB2 ASP 47 HB2 ASP 47 7.706 16.483 -22.624 273 HB3 ASP 47 HB3 ASP 47 8.974 15.367 -22.123 274 H HIS 48 H HIS 48 6.837 14.521 -24.091 275 HA HIS 48 HA HIS 48 8.143 11.910 -24.263 276 HB2 HIS 48 HB2 HIS 48 5.986 10.993 -23.550 277 HB3 HIS 48 HB3 HIS 48 6.526 12.254 -22.445 278 HD1 HIS 48 HD1 HIS 48 5.002 14.229 -22.114 279 HD2 HIS 48 HD2 HIS 48 3.819 11.797 -25.268 280 HE1 HIS 48 HE1 HIS 48 2.737 15.077 -22.805 281 H HIS 49 H HIS 49 7.629 13.860 -26.537 282 HA HIS 49 HA HIS 49 6.909 13.844 -28.703 283 HB2 HIS 49 HB2 HIS 49 7.362 10.877 -28.319 284 HB3 HIS 49 HB3 HIS 49 7.212 11.687 -29.876 285 HD1 HIS 49 HD1 HIS 49 9.269 12.832 -30.798 286 HD2 HIS 49 HD2 HIS 49 9.770 11.486 -26.900 287 HE1 HIS 49 HE1 HIS 49 11.722 13.091 -30.308 288 H CYS 50 H CYS 50 4.763 14.268 -27.305 289 HA CYS 50 HA CYS 50 2.708 12.431 -27.182 290 HB2 CYS 50 HB2 CYS 50 2.780 14.858 -26.337 291 HB3 CYS 50 HB3 CYS 50 2.238 15.305 -27.951 292 H ARG 51 H ARG 51 1.364 11.488 -28.598 293 HA ARG 51 HA ARG 51 1.925 11.357 -31.310 294 HB2 ARG 51 HB2 ARG 51 -0.350 10.344 -31.536 295 HB3 ARG 51 HB3 ARG 51 0.633 9.628 -30.266 296 HG2 ARG 51 HG2 ARG 51 -0.582 10.823 -28.574 297 HG3 ARG 51 HG3 ARG 51 -1.485 11.714 -29.801 298 HD2 ARG 51 HD2 ARG 51 -1.554 8.717 -29.494 299 HD3 ARG 51 HD3 ARG 51 -2.730 9.809 -28.764 300 HE ARG 51 HE ARG 51 -2.463 10.190 -31.588 301 HH11 ARG 51 HH11 ARG 51 -3.993 8.268 -29.121 302 HH12 ARG 51 HH12 ARG 51 -5.334 7.817 -30.120 303 HH21 ARG 51 HH21 ARG 51 -4.224 9.603 -32.914 304 HH22 ARG 51 HH22 ARG 51 -5.464 8.576 -32.278 305 H TRP 52 H TRP 52 -0.245 13.497 -29.562 306 HA TRP 52 HA TRP 52 -1.690 14.555 -31.695 307 HB2 TRP 52 HB2 TRP 52 -2.060 14.945 -29.209 308 HB3 TRP 52 HB3 TRP 52 -0.784 16.155 -29.302 309 HD1 TRP 52 HD1 TRP 52 -4.434 15.601 -30.116 310 HE1 TRP 52 HE1 TRP 52 -5.459 17.803 -30.968 311 HE3 TRP 52 HE3 TRP 52 -0.149 18.337 -30.649 312 HZ2 TRP 52 HZ2 TRP 52 -4.568 20.361 -31.762 313 HZ3 TRP 52 HZ3 TRP 52 -0.322 20.654 -31.461 314 HH2 TRP 52 HH2 TRP 52 -2.487 21.643 -32.005 315 H LEU 53 H LEU 53 1.421 15.587 -30.336 316 HA LEU 53 HA LEU 53 1.806 17.845 -31.941 317 HB2 LEU 53 HB2 LEU 53 3.366 16.226 -30.135 318 HB3 LEU 53 HB3 LEU 53 4.334 16.733 -31.518 319 HG LEU 53 HG LEU 53 2.823 18.592 -29.683 320 HD11 LEU 53 HD11 LEU 53 5.801 18.343 -29.846 321 HD12 LEU 53 HD12 LEU 53 4.864 17.299 -28.776 322 HD13 LEU 53 HD13 LEU 53 4.806 19.050 -28.572 323 HD21 LEU 53 HD21 LEU 53 3.868 18.956 -32.288 324 HD22 LEU 53 HD22 LEU 53 4.915 19.827 -31.167 325 HD23 LEU 53 HD23 LEU 53 3.184 20.166 -31.202 326 H LEU 54 H LEU 54 2.588 14.447 -32.498 327 HA LEU 54 HA LEU 54 3.973 14.900 -34.949 328 HB2 LEU 54 HB2 LEU 54 2.638 12.313 -34.269 329 HB3 LEU 54 HB3 LEU 54 4.155 12.593 -35.122 330 HG LEU 54 HG LEU 54 3.679 12.876 -32.156 331 HD11 LEU 54 HD11 LEU 54 5.270 10.894 -33.776 332 HD12 LEU 54 HD12 LEU 54 3.803 10.569 -32.854 333 HD13 LEU 54 HD13 LEU 54 5.290 11.014 -32.017 334 HD21 LEU 54 HD21 LEU 54 6.414 12.914 -32.719 335 HD22 LEU 54 HD22 LEU 54 5.422 14.252 -32.138 336 HD23 LEU 54 HD23 LEU 54 5.683 14.034 -33.869 337 H GLU 55 H GLU 55 0.647 14.171 -34.076 338 HA GLU 55 HA GLU 55 -0.353 13.508 -36.596 339 HB2 GLU 55 HB2 GLU 55 -1.413 14.081 -34.015 340 HB3 GLU 55 HB3 GLU 55 -2.322 15.017 -35.193 341 HG2 GLU 55 HG2 GLU 55 -2.237 12.613 -36.423 342 HG3 GLU 55 HG3 GLU 55 -2.243 12.121 -34.731 343 H HIS 56 H HIS 56 0.229 16.641 -35.104 344 HA HIS 56 HA HIS 56 -0.658 17.958 -37.582 345 HB2 HIS 56 HB2 HIS 56 -0.472 18.903 -34.733 346 HB3 HIS 56 HB3 HIS 56 -0.529 20.053 -36.065 347 HD1 HIS 56 HD1 HIS 56 -2.701 19.484 -37.770 348 HD2 HIS 56 HD2 HIS 56 -2.930 18.350 -33.780 349 HE1 HIS 56 HE1 HIS 56 -5.152 19.176 -37.298 350 H GLU 57 H GLU 57 1.430 17.222 -38.501 351 HA GLU 57 HA GLU 57 3.818 18.536 -37.517 352 HB2 GLU 57 HB2 GLU 57 3.217 16.537 -39.656 353 HB3 GLU 57 HB3 GLU 57 4.716 17.451 -39.747 354 HG2 GLU 57 HG2 GLU 57 4.515 16.525 -37.105 355 HG3 GLU 57 HG3 GLU 57 4.077 15.172 -38.146 356 H GLU 58 H GLU 58 3.195 20.730 -37.803 357 HA GLU 58 HA GLU 58 2.347 21.846 -40.235 358 HB2 GLU 58 HB2 GLU 58 2.941 23.993 -39.278 359 HB3 GLU 58 HB3 GLU 58 2.173 22.992 -38.054 360 HG2 GLU 58 HG2 GLU 58 4.318 22.485 -37.067 361 HG3 GLU 58 HG3 GLU 58 5.143 23.385 -38.338 362 H VAL 59 H VAL 59 3.402 22.634 -41.986 363 HA VAL 59 HA VAL 59 5.999 21.666 -42.566 364 HB VAL 59 HB VAL 59 5.839 23.007 -44.631 365 HG11 VAL 59 HG11 VAL 59 4.001 21.819 -45.609 366 HG12 VAL 59 HG12 VAL 59 4.763 20.771 -44.411 367 HG13 VAL 59 HG13 VAL 59 3.247 21.591 -44.031 368 HG21 VAL 59 HG21 VAL 59 3.390 24.107 -43.276 369 HG22 VAL 59 HG22 VAL 59 4.766 24.992 -43.934 370 HG23 VAL 59 HG23 VAL 59 3.631 24.193 -45.021 Start of MODEL 6 1 H MET 11 H MET 11 0.937 -4.925 -5.933 2 HA MET 11 HA MET 11 1.593 -2.620 -7.327 3 HB2 MET 11 HB2 MET 11 -0.827 -4.380 -7.759 4 HB3 MET 11 HB3 MET 11 -0.130 -3.279 -8.939 5 HG2 MET 11 HG2 MET 11 1.509 -4.701 -9.493 6 HG3 MET 11 HG3 MET 11 1.741 -5.245 -7.834 7 HE1 MET 11 HE1 MET 11 0.761 -8.522 -7.790 8 HE2 MET 11 HE2 MET 11 1.749 -8.274 -9.229 9 HE3 MET 11 HE3 MET 11 2.039 -7.305 -7.783 10 H LEU 12 H LEU 12 1.190 -0.704 -6.305 11 HA LEU 12 HA LEU 12 -1.647 -0.021 -5.911 12 HB2 LEU 12 HB2 LEU 12 0.521 1.268 -4.308 13 HB3 LEU 12 HB3 LEU 12 -1.201 1.142 -3.956 14 HG LEU 12 HG LEU 12 -0.282 -1.489 -3.951 15 HD11 LEU 12 HD11 LEU 12 1.999 -0.943 -3.850 16 HD12 LEU 12 HD12 LEU 12 1.532 -1.278 -2.183 17 HD13 LEU 12 HD13 LEU 12 1.719 0.388 -2.728 18 HD21 LEU 12 HD21 LEU 12 -0.752 0.394 -1.641 19 HD22 LEU 12 HD22 LEU 12 -0.757 -1.368 -1.560 20 HD23 LEU 12 HD23 LEU 12 -1.991 -0.524 -2.497 21 H ASP 13 H ASP 13 -1.315 2.671 -5.351 22 HA ASP 13 HA ASP 13 -0.296 3.670 -7.925 23 HB2 ASP 13 HB2 ASP 13 -2.531 4.620 -6.141 24 HB3 ASP 13 HB3 ASP 13 -1.847 5.644 -7.400 25 H VAL 14 H VAL 14 1.562 3.284 -5.937 26 HA VAL 14 HA VAL 14 1.983 5.754 -4.497 27 HB VAL 14 HB VAL 14 4.129 4.688 -3.792 28 HG11 VAL 14 HG11 VAL 14 2.399 4.387 -2.272 29 HG12 VAL 14 HG12 VAL 14 1.487 3.344 -3.365 30 HG13 VAL 14 HG13 VAL 14 2.946 2.739 -2.579 31 HG21 VAL 14 HG21 VAL 14 3.787 3.127 -6.027 32 HG22 VAL 14 HG22 VAL 14 4.937 2.823 -4.725 33 HG23 VAL 14 HG23 VAL 14 3.362 2.031 -4.713 34 H GLY 15 H GLY 15 1.833 6.608 -6.968 35 HA2 GLY 15 HA2 GLY 15 3.148 8.183 -8.144 36 HA3 GLY 15 HA3 GLY 15 4.594 7.347 -7.597 37 H LYS 16 H LYS 16 3.437 8.184 -10.309 38 HA LYS 16 HA LYS 16 3.443 5.562 -11.627 39 HB2 LYS 16 HB2 LYS 16 1.972 7.957 -12.051 40 HB3 LYS 16 HB3 LYS 16 2.987 7.704 -13.465 41 HG2 LYS 16 HG2 LYS 16 1.095 6.560 -14.059 42 HG3 LYS 16 HG3 LYS 16 2.062 5.269 -13.343 43 HD2 LYS 16 HD2 LYS 16 0.846 5.904 -11.147 44 HD3 LYS 16 HD3 LYS 16 -0.312 6.706 -12.211 45 HE2 LYS 16 HE2 LYS 16 0.497 3.872 -12.723 46 HE3 LYS 16 HE3 LYS 16 -0.712 4.239 -11.494 47 HZ1 LYS 16 HZ1 LYS 16 -1.376 5.676 -13.787 48 HZ2 LYS 16 HZ2 LYS 16 -2.214 4.381 -13.093 49 HZ3 LYS 16 HZ3 LYS 16 -1.043 4.091 -14.278 50 H HIS 17 H HIS 17 5.013 4.957 -13.023 51 HA HIS 17 HA HIS 17 7.406 6.607 -13.114 52 HB2 HIS 17 HB2 HIS 17 7.074 3.870 -14.334 53 HB3 HIS 17 HB3 HIS 17 8.564 4.663 -13.829 54 HD1 HIS 17 HD1 HIS 17 5.438 3.146 -12.315 55 HD2 HIS 17 HD2 HIS 17 9.351 4.087 -11.283 56 HE1 HIS 17 HE1 HIS 17 5.781 2.171 -10.022 57 H CYS 18 H CYS 18 8.213 7.589 -14.890 58 HA CYS 18 HA CYS 18 6.595 8.353 -16.988 59 HB2 CYS 18 HB2 CYS 18 8.802 9.376 -16.296 60 HB3 CYS 18 HB3 CYS 18 9.597 8.083 -17.188 61 H ALA 19 H ALA 19 6.287 7.689 -19.096 62 HA ALA 19 HA ALA 19 6.887 4.873 -19.600 63 HB1 ALA 19 HB1 ALA 19 5.317 5.893 -21.690 64 HB2 ALA 19 HB2 ALA 19 4.801 4.861 -20.356 65 HB3 ALA 19 HB3 ALA 19 4.692 6.615 -20.207 66 H TYR 20 H TYR 20 8.758 7.278 -19.927 67 HA TYR 20 HA TYR 20 9.636 6.580 -22.646 68 HB2 TYR 20 HB2 TYR 20 8.527 8.890 -22.423 69 HB3 TYR 20 HB3 TYR 20 9.965 9.354 -21.519 70 HD1 TYR 20 HD1 TYR 20 11.827 10.154 -22.658 71 HD2 TYR 20 HD2 TYR 20 8.927 7.880 -24.784 72 HE1 TYR 20 HE1 TYR 20 12.998 10.642 -24.765 73 HE2 TYR 20 HE2 TYR 20 10.091 8.361 -26.897 74 HH TYR 20 HH TYR 20 12.962 9.152 -27.276 75 H CYS 21 H CYS 21 10.557 7.955 -19.510 76 HA CYS 21 HA CYS 21 13.297 6.970 -19.967 77 HB2 CYS 21 HB2 CYS 21 14.135 8.712 -18.596 78 HB3 CYS 21 HB3 CYS 21 12.958 9.473 -19.661 79 H ARG 22 H ARG 22 10.473 6.631 -18.112 80 HA ARG 22 HA ARG 22 9.912 5.246 -16.396 81 HB2 ARG 22 HB2 ARG 22 12.694 4.096 -16.548 82 HB3 ARG 22 HB3 ARG 22 11.231 3.317 -15.962 83 HG2 ARG 22 HG2 ARG 22 10.664 4.029 -18.595 84 HG3 ARG 22 HG3 ARG 22 12.318 3.415 -18.623 85 HD2 ARG 22 HD2 ARG 22 11.367 1.481 -17.191 86 HD3 ARG 22 HD3 ARG 22 9.799 2.030 -17.782 87 HE ARG 22 HE ARG 22 11.747 0.551 -19.236 88 HH11 ARG 22 HH11 ARG 22 9.281 2.986 -19.566 89 HH12 ARG 22 HH12 ARG 22 8.964 2.626 -21.231 90 HH21 ARG 22 HH21 ARG 22 11.340 0.067 -21.427 91 HH22 ARG 22 HH22 ARG 22 10.135 0.965 -22.288 92 H GLN 23 H GLN 23 10.115 7.439 -15.303 93 HA GLN 23 HA GLN 23 12.126 7.275 -13.155 94 HB2 GLN 23 HB2 GLN 23 11.200 9.553 -14.808 95 HB3 GLN 23 HB3 GLN 23 11.448 9.883 -13.099 96 HG2 GLN 23 HG2 GLN 23 13.738 9.140 -13.246 97 HG3 GLN 23 HG3 GLN 23 13.508 8.675 -14.930 98 HE21 GLN 23 HE21 GLN 23 15.480 10.180 -14.897 99 HE22 GLN 23 HE22 GLN 23 15.155 11.843 -15.231 100 H LEU 24 H LEU 24 11.206 6.668 -11.317 101 HA LEU 24 HA LEU 24 8.444 6.714 -10.806 102 HB2 LEU 24 HB2 LEU 24 9.784 5.147 -9.644 103 HB3 LEU 24 HB3 LEU 24 10.837 6.411 -9.013 104 HG LEU 24 HG LEU 24 8.193 6.909 -8.085 105 HD11 LEU 24 HD11 LEU 24 7.384 4.796 -8.118 106 HD12 LEU 24 HD12 LEU 24 8.317 4.676 -6.627 107 HD13 LEU 24 HD13 LEU 24 8.987 4.061 -8.137 108 HD21 LEU 24 HD21 LEU 24 10.083 7.690 -6.897 109 HD22 LEU 24 HD22 LEU 24 10.783 6.074 -6.802 110 HD23 LEU 24 HD23 LEU 24 9.332 6.462 -5.876 111 H ASP 25 H ASP 25 7.347 8.580 -10.780 112 HA ASP 25 HA ASP 25 8.393 10.770 -9.107 113 HB2 ASP 25 HB2 ASP 25 7.057 10.743 -11.747 114 HB3 ASP 25 HB3 ASP 25 6.532 12.005 -10.636 115 H PHE 26 H PHE 26 6.719 12.126 -8.071 116 HA PHE 26 HA PHE 26 4.667 10.416 -6.907 117 HB2 PHE 26 HB2 PHE 26 5.318 13.251 -6.110 118 HB3 PHE 26 HB3 PHE 26 4.513 12.014 -5.151 119 HD1 PHE 26 HD1 PHE 26 7.741 13.115 -6.527 120 HD2 PHE 26 HD2 PHE 26 5.750 10.402 -3.920 121 HE1 PHE 26 HE1 PHE 26 9.905 12.472 -5.549 122 HE2 PHE 26 HE2 PHE 26 7.911 9.755 -2.937 123 HZ PHE 26 HZ PHE 26 9.993 10.789 -3.752 124 H LEU 27 H LEU 27 4.971 13.394 -8.763 125 HA LEU 27 HA LEU 27 2.041 13.476 -9.035 126 HB2 LEU 27 HB2 LEU 27 2.446 15.841 -9.807 127 HB3 LEU 27 HB3 LEU 27 2.764 15.510 -8.106 128 HG LEU 27 HG LEU 27 5.120 15.274 -9.834 129 HD11 LEU 27 HD11 LEU 27 3.990 18.020 -9.362 130 HD12 LEU 27 HD12 LEU 27 3.813 17.153 -10.887 131 HD13 LEU 27 HD13 LEU 27 5.419 17.574 -10.294 132 HD21 LEU 27 HD21 LEU 27 4.989 17.151 -7.563 133 HD22 LEU 27 HD22 LEU 27 6.198 15.930 -7.962 134 HD23 LEU 27 HD23 LEU 27 4.686 15.455 -7.186 135 HA PRO 28 HA PRO 28 3.549 12.038 -13.143 136 HB2 PRO 28 HB2 PRO 28 1.417 10.418 -13.593 137 HB3 PRO 28 HB3 PRO 28 2.836 9.905 -12.673 138 HG2 PRO 28 HG2 PRO 28 0.182 10.870 -11.679 139 HG3 PRO 28 HG3 PRO 28 1.169 9.517 -11.098 140 HD2 PRO 28 HD2 PRO 28 1.111 11.919 -9.850 141 HD3 PRO 28 HD3 PRO 28 2.558 10.891 -9.875 142 H PHE 29 H PHE 29 3.134 13.208 -14.903 143 HA PHE 29 HA PHE 29 0.778 14.885 -15.003 144 HB2 PHE 29 HB2 PHE 29 3.308 14.676 -16.590 145 HB3 PHE 29 HB3 PHE 29 1.929 15.527 -17.278 146 HD1 PHE 29 HD1 PHE 29 1.293 17.676 -16.502 147 HD2 PHE 29 HD2 PHE 29 4.351 15.490 -14.506 148 HE1 PHE 29 HE1 PHE 29 1.910 19.697 -15.243 149 HE2 PHE 29 HE2 PHE 29 4.973 17.507 -13.243 150 HZ PHE 29 HZ PHE 29 3.752 19.614 -13.610 151 H HIS 30 H HIS 30 -1.053 13.907 -15.605 152 HA HIS 30 HA HIS 30 -1.062 11.764 -17.541 153 HB2 HIS 30 HB2 HIS 30 -2.598 11.586 -15.695 154 HB3 HIS 30 HB3 HIS 30 -3.284 13.169 -16.049 155 HD1 HIS 30 HD1 HIS 30 -3.413 9.599 -17.090 156 HD2 HIS 30 HD2 HIS 30 -5.089 13.231 -18.216 157 HE1 HIS 30 HE1 HIS 30 -5.308 9.015 -18.637 158 H CYS 31 H CYS 31 -1.210 12.024 -19.661 159 HA CYS 31 HA CYS 31 -1.805 14.637 -20.763 160 HB2 CYS 31 HB2 CYS 31 -0.015 12.799 -21.516 161 HB3 CYS 31 HB3 CYS 31 -1.360 12.285 -22.530 162 H SER 32 H SER 32 -3.673 15.245 -21.653 163 HA SER 32 HA SER 32 -5.859 13.313 -21.725 164 HB2 SER 32 HB2 SER 32 -5.784 15.885 -20.841 165 HB3 SER 32 HB3 SER 32 -6.403 16.118 -22.475 166 HG SER 32 HG SER 32 -8.044 15.741 -20.865 167 H PHE 33 H PHE 33 -3.613 13.560 -23.756 168 HA PHE 33 HA PHE 33 -5.317 13.874 -26.140 169 HB2 PHE 33 HB2 PHE 33 -2.320 14.147 -26.175 170 HB3 PHE 33 HB3 PHE 33 -3.486 14.705 -27.371 171 HD1 PHE 33 HD1 PHE 33 -5.438 16.113 -25.703 172 HD2 PHE 33 HD2 PHE 33 -1.187 16.046 -25.496 173 HE1 PHE 33 HE1 PHE 33 -5.458 18.336 -24.647 174 HE2 PHE 33 HE2 PHE 33 -1.200 18.268 -24.439 175 HZ PHE 33 HZ PHE 33 -3.337 19.415 -24.013 176 H CYS 34 H CYS 34 -2.529 12.123 -24.807 177 HA CYS 34 HA CYS 34 -3.074 9.934 -26.694 178 HB2 CYS 34 HB2 CYS 34 -0.786 9.172 -26.222 179 HB3 CYS 34 HB3 CYS 34 -0.799 10.834 -26.806 180 H ASN 35 H ASN 35 -3.354 10.853 -23.446 181 HA ASN 35 HA ASN 35 -4.133 9.767 -21.603 182 HB2 ASN 35 HB2 ASN 35 -5.476 8.572 -23.564 183 HB3 ASN 35 HB3 ASN 35 -4.499 7.194 -23.065 184 HD21 ASN 35 HD21 ASN 35 -6.952 9.469 -22.106 185 HD22 ASN 35 HD22 ASN 35 -7.511 8.588 -20.729 186 H GLU 36 H GLU 36 -1.592 9.974 -21.442 187 HA GLU 36 HA GLU 36 -0.691 7.423 -20.365 188 HB2 GLU 36 HB2 GLU 36 0.752 8.939 -22.532 189 HB3 GLU 36 HB3 GLU 36 1.585 7.819 -21.463 190 HG2 GLU 36 HG2 GLU 36 -0.553 6.342 -22.339 191 HG3 GLU 36 HG3 GLU 36 -0.126 7.298 -23.757 192 H ASP 37 H ASP 37 0.942 7.613 -18.788 193 HA ASP 37 HA ASP 37 1.114 10.295 -17.625 194 HB2 ASP 37 HB2 ASP 37 1.579 7.538 -16.490 195 HB3 ASP 37 HB3 ASP 37 2.002 9.008 -15.615 196 H PHE 38 H PHE 38 3.048 11.284 -17.125 197 HA PHE 38 HA PHE 38 5.554 9.945 -17.705 198 HB2 PHE 38 HB2 PHE 38 4.765 12.452 -19.204 199 HB3 PHE 38 HB3 PHE 38 6.313 11.621 -19.312 200 HD1 PHE 38 HD1 PHE 38 6.374 9.296 -20.268 201 HD2 PHE 38 HD2 PHE 38 2.948 11.807 -20.533 202 HE1 PHE 38 HE1 PHE 38 5.504 7.909 -22.105 203 HE2 PHE 38 HE2 PHE 38 2.072 10.424 -22.369 204 HZ PHE 38 HZ PHE 38 3.350 8.472 -23.157 205 H CYS 39 H CYS 39 7.266 10.790 -16.596 206 HA CYS 39 HA CYS 39 6.864 12.221 -14.282 207 HB2 CYS 39 HB2 CYS 39 9.214 12.356 -14.067 208 HB3 CYS 39 HB3 CYS 39 8.923 10.889 -14.996 209 H SER 40 H SER 40 7.546 14.373 -13.650 210 HA SER 40 HA SER 40 6.374 16.401 -15.122 211 HB2 SER 40 HB2 SER 40 8.686 17.068 -13.347 212 HB3 SER 40 HB3 SER 40 7.111 17.851 -13.478 213 HG SER 40 HG SER 40 7.349 16.631 -11.539 214 H ASN 41 H ASN 41 9.685 15.227 -15.180 215 HA ASN 41 HA ASN 41 10.842 17.306 -16.666 216 HB2 ASN 41 HB2 ASN 41 11.730 14.940 -15.548 217 HB3 ASN 41 HB3 ASN 41 11.920 14.655 -17.275 218 HD21 ASN 41 HD21 ASN 41 13.104 16.273 -14.518 219 HD22 ASN 41 HD22 ASN 41 14.410 17.106 -15.283 220 H HIS 42 H HIS 42 8.821 14.643 -17.601 221 HA HIS 42 HA HIS 42 9.134 15.426 -20.425 222 HB2 HIS 42 HB2 HIS 42 8.566 12.730 -19.199 223 HB3 HIS 42 HB3 HIS 42 8.259 13.072 -20.899 224 HD2 HIS 42 HD2 HIS 42 10.839 14.208 -22.101 225 HE1 HIS 42 HE1 HIS 42 13.061 11.434 -19.785 226 HE2 HIS 42 HE2 HIS 42 13.104 13.009 -21.751 227 H ARG 43 H ARG 43 7.297 16.375 -18.211 228 HA ARG 43 HA ARG 43 4.689 15.479 -18.603 229 HB2 ARG 43 HB2 ARG 43 3.972 17.570 -17.604 230 HB3 ARG 43 HB3 ARG 43 5.390 16.964 -16.759 231 HG2 ARG 43 HG2 ARG 43 6.767 18.525 -18.166 232 HG3 ARG 43 HG3 ARG 43 5.250 19.230 -18.728 233 HD2 ARG 43 HD2 ARG 43 4.650 19.800 -16.439 234 HD3 ARG 43 HD3 ARG 43 6.132 19.048 -15.849 235 HE ARG 43 HE ARG 43 7.013 20.910 -17.616 236 HH11 ARG 43 HH11 ARG 43 4.905 21.007 -14.848 237 HH12 ARG 43 HH12 ARG 43 5.313 22.638 -14.430 238 HH21 ARG 43 HH21 ARG 43 7.560 23.058 -17.077 239 HH22 ARG 43 HH22 ARG 43 6.823 23.804 -15.699 240 H LEU 44 H LEU 44 6.585 17.847 -20.387 241 HA LEU 44 HA LEU 44 4.625 19.064 -21.905 242 HB2 LEU 44 HB2 LEU 44 7.319 18.240 -22.964 243 HB3 LEU 44 HB3 LEU 44 6.326 19.598 -23.490 244 HG LEU 44 HG LEU 44 7.723 19.357 -20.826 245 HD11 LEU 44 HD11 LEU 44 8.314 21.111 -23.206 246 HD12 LEU 44 HD12 LEU 44 9.260 19.714 -22.695 247 HD13 LEU 44 HD13 LEU 44 9.157 21.136 -21.657 248 HD21 LEU 44 HD21 LEU 44 5.508 20.946 -21.641 249 HD22 LEU 44 HD22 LEU 44 6.906 22.000 -21.429 250 HD23 LEU 44 HD23 LEU 44 6.374 20.962 -20.105 251 H LYS 45 H LYS 45 4.308 18.734 -24.320 252 HA LYS 45 HA LYS 45 3.228 16.113 -24.726 253 HB2 LYS 45 HB2 LYS 45 3.001 18.717 -25.953 254 HB3 LYS 45 HB3 LYS 45 3.227 17.480 -27.182 255 HG2 LYS 45 HG2 LYS 45 1.313 16.261 -26.370 256 HG3 LYS 45 HG3 LYS 45 1.123 17.392 -25.029 257 HD2 LYS 45 HD2 LYS 45 -0.471 17.984 -26.703 258 HD3 LYS 45 HD3 LYS 45 0.800 19.209 -26.723 259 HE2 LYS 45 HE2 LYS 45 1.747 17.395 -28.524 260 HE3 LYS 45 HE3 LYS 45 0.007 17.272 -28.777 261 HZ1 LYS 45 HZ1 LYS 45 -0.118 19.589 -29.232 262 HZ2 LYS 45 HZ2 LYS 45 1.132 18.960 -30.181 263 HZ3 LYS 45 HZ3 LYS 45 1.494 19.839 -28.782 264 H GLU 46 H GLU 46 5.580 18.000 -26.641 265 HA GLU 46 HA GLU 46 6.455 15.922 -28.258 266 HB2 GLU 46 HB2 GLU 46 8.298 17.296 -28.843 267 HB3 GLU 46 HB3 GLU 46 6.962 18.387 -28.506 268 HG2 GLU 46 HG2 GLU 46 7.951 18.548 -26.145 269 HG3 GLU 46 HG3 GLU 46 9.399 17.841 -26.860 270 H ASP 47 H ASP 47 7.299 16.709 -24.974 271 HA ASP 47 HA ASP 47 9.705 15.425 -24.624 272 HB2 ASP 47 HB2 ASP 47 7.366 15.961 -22.865 273 HB3 ASP 47 HB3 ASP 47 8.562 14.804 -22.287 274 H HIS 48 H HIS 48 6.471 13.964 -24.286 275 HA HIS 48 HA HIS 48 7.691 11.307 -24.325 276 HB2 HIS 48 HB2 HIS 48 5.476 10.490 -23.660 277 HB3 HIS 48 HB3 HIS 48 6.031 11.762 -22.575 278 HD1 HIS 48 HD1 HIS 48 4.560 13.782 -22.328 279 HD2 HIS 48 HD2 HIS 48 3.412 11.345 -25.491 280 HE1 HIS 48 HE1 HIS 48 2.357 14.702 -23.121 281 H HIS 49 H HIS 49 7.321 13.188 -26.682 282 HA HIS 49 HA HIS 49 6.673 13.118 -28.870 283 HB2 HIS 49 HB2 HIS 49 7.120 10.189 -28.282 284 HB3 HIS 49 HB3 HIS 49 6.837 10.816 -29.903 285 HD1 HIS 49 HD1 HIS 49 8.636 13.351 -29.697 286 HD2 HIS 49 HD2 HIS 49 9.763 9.528 -28.526 287 HE1 HIS 49 HE1 HIS 49 11.149 13.337 -29.777 288 H CYS 50 H CYS 50 4.499 13.671 -27.571 289 HA CYS 50 HA CYS 50 2.376 11.908 -27.454 290 HB2 CYS 50 HB2 CYS 50 2.512 14.360 -26.684 291 HB3 CYS 50 HB3 CYS 50 2.029 14.769 -28.327 292 H ARG 51 H ARG 51 1.088 10.934 -28.893 293 HA ARG 51 HA ARG 51 1.721 10.716 -31.577 294 HB2 ARG 51 HB2 ARG 51 -0.547 9.739 -31.858 295 HB3 ARG 51 HB3 ARG 51 0.333 9.071 -30.489 296 HG2 ARG 51 HG2 ARG 51 -0.928 10.660 -29.020 297 HG3 ARG 51 HG3 ARG 51 -1.912 11.069 -30.427 298 HD2 ARG 51 HD2 ARG 51 -1.566 8.209 -29.639 299 HD3 ARG 51 HD3 ARG 51 -2.704 9.225 -28.755 300 HE ARG 51 HE ARG 51 -3.057 8.134 -31.361 301 HH11 ARG 51 HH11 ARG 51 -3.802 10.888 -29.366 302 HH12 ARG 51 HH12 ARG 51 -5.245 11.292 -30.235 303 HH21 ARG 51 HH21 ARG 51 -4.955 8.654 -32.513 304 HH22 ARG 51 HH22 ARG 51 -5.901 10.020 -32.024 305 H TRP 52 H TRP 52 -0.442 12.972 -29.971 306 HA TRP 52 HA TRP 52 -1.783 14.008 -32.178 307 HB2 TRP 52 HB2 TRP 52 -2.216 14.495 -29.722 308 HB3 TRP 52 HB3 TRP 52 -0.890 15.652 -29.809 309 HD1 TRP 52 HD1 TRP 52 -4.532 15.212 -30.723 310 HE1 TRP 52 HE1 TRP 52 -5.443 17.423 -31.675 311 HE3 TRP 52 HE3 TRP 52 -0.129 17.764 -31.204 312 HZ2 TRP 52 HZ2 TRP 52 -4.429 19.919 -32.519 313 HZ3 TRP 52 HZ3 TRP 52 -0.186 20.058 -32.092 314 HH2 TRP 52 HH2 TRP 52 -2.292 21.111 -32.736 315 H LEU 53 H LEU 53 1.358 14.897 -30.810 316 HA LEU 53 HA LEU 53 1.847 17.107 -32.488 317 HB2 LEU 53 HB2 LEU 53 3.302 15.528 -30.549 318 HB3 LEU 53 HB3 LEU 53 4.328 15.988 -31.907 319 HG LEU 53 HG LEU 53 2.771 17.898 -30.164 320 HD11 LEU 53 HD11 LEU 53 5.551 16.853 -30.076 321 HD12 LEU 53 HD12 LEU 53 4.462 17.289 -28.760 322 HD13 LEU 53 HD13 LEU 53 5.280 18.551 -29.680 323 HD21 LEU 53 HD21 LEU 53 4.008 18.180 -32.748 324 HD22 LEU 53 HD22 LEU 53 4.802 19.215 -31.560 325 HD23 LEU 53 HD23 LEU 53 3.062 19.346 -31.823 326 H LEU 54 H LEU 54 2.425 13.662 -32.869 327 HA LEU 54 HA LEU 54 4.012 13.891 -35.225 328 HB2 LEU 54 HB2 LEU 54 2.382 11.472 -34.568 329 HB3 LEU 54 HB3 LEU 54 3.973 11.572 -35.320 330 HG LEU 54 HG LEU 54 3.329 12.005 -32.404 331 HD11 LEU 54 HD11 LEU 54 5.240 9.950 -33.310 332 HD12 LEU 54 HD12 LEU 54 3.540 9.645 -33.665 333 HD13 LEU 54 HD13 LEU 54 4.059 9.910 -32.001 334 HD21 LEU 54 HD21 LEU 54 5.141 13.322 -32.447 335 HD22 LEU 54 HD22 LEU 54 5.643 12.750 -34.038 336 HD23 LEU 54 HD23 LEU 54 6.040 11.813 -32.597 337 H GLU 55 H GLU 55 0.631 12.872 -34.713 338 HA GLU 55 HA GLU 55 -0.051 12.671 -37.421 339 HB2 GLU 55 HB2 GLU 55 -2.361 12.703 -36.687 340 HB3 GLU 55 HB3 GLU 55 -1.402 11.736 -35.576 341 HG2 GLU 55 HG2 GLU 55 -1.270 13.763 -34.096 342 HG3 GLU 55 HG3 GLU 55 -2.466 14.512 -35.152 343 H HIS 56 H HIS 56 -0.070 15.410 -35.217 344 HA HIS 56 HA HIS 56 -0.844 17.147 -37.468 345 HB2 HIS 56 HB2 HIS 56 -1.684 17.086 -34.652 346 HB3 HIS 56 HB3 HIS 56 -1.251 18.688 -35.241 347 HD1 HIS 56 HD1 HIS 56 -2.574 19.419 -37.512 348 HD2 HIS 56 HD2 HIS 56 -4.203 16.306 -35.294 349 HE1 HIS 56 HE1 HIS 56 -4.962 19.225 -38.278 350 H GLU 57 H GLU 57 1.366 17.266 -38.135 351 HA GLU 57 HA GLU 57 3.060 18.888 -36.352 352 HB2 GLU 57 HB2 GLU 57 4.973 18.007 -37.724 353 HB3 GLU 57 HB3 GLU 57 4.141 16.801 -36.753 354 HG2 GLU 57 HG2 GLU 57 3.694 15.585 -38.542 355 HG3 GLU 57 HG3 GLU 57 2.936 16.958 -39.346 356 H GLU 58 H GLU 58 2.811 20.956 -36.930 357 HA GLU 58 HA GLU 58 2.922 21.611 -39.801 358 HB2 GLU 58 HB2 GLU 58 1.768 23.757 -39.108 359 HB3 GLU 58 HB3 GLU 58 0.799 22.294 -39.002 360 HG2 GLU 58 HG2 GLU 58 2.160 22.767 -36.519 361 HG3 GLU 58 HG3 GLU 58 1.249 24.195 -37.007 362 H VAL 59 H VAL 59 4.961 22.171 -40.246 363 HA VAL 59 HA VAL 59 6.282 24.103 -38.451 364 HB VAL 59 HB VAL 59 8.449 23.181 -39.383 365 HG11 VAL 59 HG11 VAL 59 8.100 22.591 -37.187 366 HG12 VAL 59 HG12 VAL 59 6.616 21.706 -37.548 367 HG13 VAL 59 HG13 VAL 59 8.184 21.006 -37.955 368 HG21 VAL 59 HG21 VAL 59 8.378 20.885 -40.264 369 HG22 VAL 59 HG22 VAL 59 6.616 20.958 -40.279 370 HG23 VAL 59 HG23 VAL 59 7.551 22.028 -41.322 Start of MODEL 7 1 H MET 11 H MET 11 2.387 1.737 3.188 2 HA MET 11 HA MET 11 4.363 1.638 2.047 3 HB2 MET 11 HB2 MET 11 5.353 -0.690 1.976 4 HB3 MET 11 HB3 MET 11 4.842 -0.124 3.561 5 HG2 MET 11 HG2 MET 11 3.020 -1.549 3.628 6 HG3 MET 11 HG3 MET 11 2.999 -1.763 1.879 7 HE1 MET 11 HE1 MET 11 3.164 -3.232 4.815 8 HE2 MET 11 HE2 MET 11 3.138 -4.756 3.928 9 HE3 MET 11 HE3 MET 11 4.502 -4.369 4.978 10 H LEU 12 H LEU 12 2.827 2.307 0.169 11 HA LEU 12 HA LEU 12 3.245 0.390 -2.028 12 HB2 LEU 12 HB2 LEU 12 1.002 2.366 -2.056 13 HB3 LEU 12 HB3 LEU 12 1.177 0.867 -2.967 14 HG LEU 12 HG LEU 12 1.067 0.072 -0.297 15 HD11 LEU 12 HD11 LEU 12 -0.874 1.111 0.624 16 HD12 LEU 12 HD12 LEU 12 -1.117 2.075 -0.832 17 HD13 LEU 12 HD13 LEU 12 0.274 2.383 0.206 18 HD21 LEU 12 HD21 LEU 12 -0.762 0.011 -2.652 19 HD22 LEU 12 HD22 LEU 12 -1.353 -0.547 -1.086 20 HD23 LEU 12 HD23 LEU 12 0.054 -1.315 -1.822 21 H ASP 13 H ASP 13 2.450 2.025 -4.117 22 HA ASP 13 HA ASP 13 3.948 4.505 -3.953 23 HB2 ASP 13 HB2 ASP 13 5.120 2.114 -5.021 24 HB3 ASP 13 HB3 ASP 13 4.900 3.281 -6.322 25 H VAL 14 H VAL 14 2.158 5.666 -4.511 26 HA VAL 14 HA VAL 14 0.536 4.913 -6.783 27 HB VAL 14 HB VAL 14 -0.687 7.035 -6.299 28 HG11 VAL 14 HG11 VAL 14 -0.282 5.030 -4.093 29 HG12 VAL 14 HG12 VAL 14 -1.533 6.274 -4.045 30 HG13 VAL 14 HG13 VAL 14 -1.546 5.057 -5.323 31 HG21 VAL 14 HG21 VAL 14 1.665 7.636 -4.864 32 HG22 VAL 14 HG22 VAL 14 0.218 8.628 -5.042 33 HG23 VAL 14 HG23 VAL 14 0.360 7.511 -3.684 34 H GLY 15 H GLY 15 2.915 5.128 -7.866 35 HA2 GLY 15 HA2 GLY 15 2.848 7.736 -9.248 36 HA3 GLY 15 HA3 GLY 15 4.366 7.008 -8.746 37 H LYS 16 H LYS 16 3.391 7.756 -11.427 38 HA LYS 16 HA LYS 16 3.268 5.123 -12.721 39 HB2 LYS 16 HB2 LYS 16 1.971 7.611 -13.225 40 HB3 LYS 16 HB3 LYS 16 2.994 7.241 -14.607 41 HG2 LYS 16 HG2 LYS 16 1.329 5.974 -15.344 42 HG3 LYS 16 HG3 LYS 16 1.744 4.839 -14.058 43 HD2 LYS 16 HD2 LYS 16 0.225 6.383 -12.598 44 HD3 LYS 16 HD3 LYS 16 -0.432 6.887 -14.157 45 HE2 LYS 16 HE2 LYS 16 -0.600 4.313 -14.583 46 HE3 LYS 16 HE3 LYS 16 -0.532 4.216 -12.824 47 HZ1 LYS 16 HZ1 LYS 16 -2.748 4.446 -13.043 48 HZ2 LYS 16 HZ2 LYS 16 -2.650 5.216 -14.545 49 HZ3 LYS 16 HZ3 LYS 16 -2.378 6.095 -13.126 50 H HIS 17 H HIS 17 4.815 4.442 -14.129 51 HA HIS 17 HA HIS 17 7.315 5.938 -14.125 52 HB2 HIS 17 HB2 HIS 17 6.838 3.218 -15.339 53 HB3 HIS 17 HB3 HIS 17 8.370 3.924 -14.832 54 HD1 HIS 17 HD1 HIS 17 5.140 2.640 -13.314 55 HD2 HIS 17 HD2 HIS 17 9.110 3.306 -12.284 56 HE1 HIS 17 HE1 HIS 17 5.411 1.665 -11.011 57 H CYS 18 H CYS 18 8.282 6.799 -15.900 58 HA CYS 18 HA CYS 18 6.785 7.716 -18.025 59 HB2 CYS 18 HB2 CYS 18 9.104 8.468 -17.272 60 HB3 CYS 18 HB3 CYS 18 9.738 7.137 -18.234 61 H ALA 19 H ALA 19 6.578 7.124 -20.201 62 HA ALA 19 HA ALA 19 6.848 4.243 -20.669 63 HB1 ALA 19 HB1 ALA 19 5.440 5.404 -22.796 64 HB2 ALA 19 HB2 ALA 19 4.787 4.446 -21.467 65 HB3 ALA 19 HB3 ALA 19 4.861 6.203 -21.334 66 H TYR 20 H TYR 20 8.912 6.533 -20.982 67 HA TYR 20 HA TYR 20 9.823 5.684 -23.647 68 HB2 TYR 20 HB2 TYR 20 8.892 8.015 -23.681 69 HB3 TYR 20 HB3 TYR 20 10.153 8.480 -22.545 70 HD1 TYR 20 HD1 TYR 20 11.621 9.869 -23.678 71 HD2 TYR 20 HD2 TYR 20 10.270 6.313 -25.583 72 HE1 TYR 20 HE1 TYR 20 13.156 10.296 -25.552 73 HE2 TYR 20 HE2 TYR 20 11.802 6.729 -27.461 74 HH TYR 20 HH TYR 20 13.768 9.671 -27.610 75 H CYS 21 H CYS 21 10.687 6.961 -20.471 76 HA CYS 21 HA CYS 21 13.397 5.862 -20.839 77 HB2 CYS 21 HB2 CYS 21 14.293 7.568 -19.499 78 HB3 CYS 21 HB3 CYS 21 13.111 8.399 -20.506 79 H ARG 22 H ARG 22 10.486 5.605 -19.145 80 HA ARG 22 HA ARG 22 9.787 4.288 -17.427 81 HB2 ARG 22 HB2 ARG 22 12.492 2.967 -17.699 82 HB3 ARG 22 HB3 ARG 22 11.081 2.297 -16.892 83 HG2 ARG 22 HG2 ARG 22 10.844 3.062 -19.755 84 HG3 ARG 22 HG3 ARG 22 11.727 1.592 -19.338 85 HD2 ARG 22 HD2 ARG 22 9.199 1.843 -17.915 86 HD3 ARG 22 HD3 ARG 22 8.999 1.817 -19.667 87 HE ARG 22 HE ARG 22 9.832 -0.359 -17.982 88 HH11 ARG 22 HH11 ARG 22 9.892 0.959 -21.204 89 HH12 ARG 22 HH12 ARG 22 10.141 -0.576 -21.968 90 HH21 ARG 22 HH21 ARG 22 10.160 -2.386 -18.976 91 HH22 ARG 22 HH22 ARG 22 10.292 -2.478 -20.700 92 H GLN 23 H GLN 23 10.166 6.476 -16.328 93 HA GLN 23 HA GLN 23 12.082 6.116 -14.118 94 HB2 GLN 23 HB2 GLN 23 12.808 7.986 -15.410 95 HB3 GLN 23 HB3 GLN 23 11.177 8.636 -15.506 96 HG2 GLN 23 HG2 GLN 23 11.212 9.405 -13.327 97 HG3 GLN 23 HG3 GLN 23 12.510 8.309 -12.854 98 HE21 GLN 23 HE21 GLN 23 14.645 8.740 -13.730 99 HE22 GLN 23 HE22 GLN 23 15.110 10.373 -14.047 100 H LEU 24 H LEU 24 11.128 5.713 -12.246 101 HA LEU 24 HA LEU 24 8.347 5.928 -11.825 102 HB2 LEU 24 HB2 LEU 24 9.572 4.304 -10.600 103 HB3 LEU 24 HB3 LEU 24 10.660 5.525 -9.945 104 HG LEU 24 HG LEU 24 8.045 6.208 -9.114 105 HD11 LEU 24 HD11 LEU 24 7.863 3.972 -7.690 106 HD12 LEU 24 HD12 LEU 24 8.578 3.295 -9.152 107 HD13 LEU 24 HD13 LEU 24 7.051 4.172 -9.243 108 HD21 LEU 24 HD21 LEU 24 10.623 5.387 -7.911 109 HD22 LEU 24 HD22 LEU 24 9.192 5.306 -6.884 110 HD23 LEU 24 HD23 LEU 24 9.651 6.833 -7.638 111 H ASP 25 H ASP 25 7.326 7.824 -11.780 112 HA ASP 25 HA ASP 25 8.492 9.989 -10.153 113 HB2 ASP 25 HB2 ASP 25 8.186 10.243 -12.757 114 HB3 ASP 25 HB3 ASP 25 6.509 10.555 -12.321 115 H PHE 26 H PHE 26 6.983 11.368 -9.035 116 HA PHE 26 HA PHE 26 4.754 9.854 -7.969 117 HB2 PHE 26 HB2 PHE 26 5.616 12.640 -7.185 118 HB3 PHE 26 HB3 PHE 26 4.653 11.507 -6.242 119 HD1 PHE 26 HD1 PHE 26 8.027 12.266 -7.489 120 HD2 PHE 26 HD2 PHE 26 5.674 9.795 -4.945 121 HE1 PHE 26 HE1 PHE 26 10.075 11.432 -6.411 122 HE2 PHE 26 HE2 PHE 26 7.719 8.957 -3.862 123 HZ PHE 26 HZ PHE 26 9.923 9.775 -4.596 124 H LEU 27 H LEU 27 5.298 12.810 -9.811 125 HA LEU 27 HA LEU 27 2.388 13.074 -10.168 126 HB2 LEU 27 HB2 LEU 27 4.528 14.987 -9.744 127 HB3 LEU 27 HB3 LEU 27 3.567 15.374 -11.170 128 HG LEU 27 HG LEU 27 2.342 14.896 -8.463 129 HD11 LEU 27 HD11 LEU 27 3.683 16.738 -8.018 130 HD12 LEU 27 HD12 LEU 27 2.155 17.465 -8.515 131 HD13 LEU 27 HD13 LEU 27 3.505 17.388 -9.648 132 HD21 LEU 27 HD21 LEU 27 0.406 15.200 -9.504 133 HD22 LEU 27 HD22 LEU 27 1.274 15.174 -11.039 134 HD23 LEU 27 HD23 LEU 27 0.974 16.708 -10.221 135 HA PRO 28 HA PRO 28 3.892 11.535 -14.235 136 HB2 PRO 28 HB2 PRO 28 1.651 10.094 -14.753 137 HB3 PRO 28 HB3 PRO 28 2.995 9.467 -13.792 138 HG2 PRO 28 HG2 PRO 28 0.399 10.644 -12.877 139 HG3 PRO 28 HG3 PRO 28 1.256 9.215 -12.269 140 HD2 PRO 28 HD2 PRO 28 1.354 11.614 -11.018 141 HD3 PRO 28 HD3 PRO 28 2.714 10.472 -11.002 142 H PHE 29 H PHE 29 3.628 12.735 -16.005 143 HA PHE 29 HA PHE 29 1.426 14.603 -16.170 144 HB2 PHE 29 HB2 PHE 29 3.983 14.182 -17.657 145 HB3 PHE 29 HB3 PHE 29 2.698 15.100 -18.435 146 HD1 PHE 29 HD1 PHE 29 2.126 17.297 -17.703 147 HD2 PHE 29 HD2 PHE 29 5.024 15.001 -15.594 148 HE1 PHE 29 HE1 PHE 29 2.819 19.310 -16.470 149 HE2 PHE 29 HE2 PHE 29 5.721 17.010 -14.357 150 HZ PHE 29 HZ PHE 29 4.619 19.169 -14.795 151 H HIS 30 H HIS 30 -0.469 13.842 -16.858 152 HA HIS 30 HA HIS 30 -0.626 11.672 -18.761 153 HB2 HIS 30 HB2 HIS 30 -2.222 11.734 -16.927 154 HB3 HIS 30 HB3 HIS 30 -2.782 13.325 -17.432 155 HD1 HIS 30 HD1 HIS 30 -3.035 9.698 -18.289 156 HD2 HIS 30 HD2 HIS 30 -4.538 13.337 -19.615 157 HE1 HIS 30 HE1 HIS 30 -4.904 9.118 -19.868 158 H CYS 31 H CYS 31 -0.627 11.930 -20.886 159 HA CYS 31 HA CYS 31 -0.953 14.572 -22.033 160 HB2 CYS 31 HB2 CYS 31 0.700 12.558 -22.684 161 HB3 CYS 31 HB3 CYS 31 -0.628 12.192 -23.780 162 H SER 32 H SER 32 -2.722 15.321 -23.013 163 HA SER 32 HA SER 32 -5.052 13.573 -23.179 164 HB2 SER 32 HB2 SER 32 -4.660 16.312 -22.553 165 HB3 SER 32 HB3 SER 32 -5.622 16.250 -24.030 166 HG SER 32 HG SER 32 -6.704 16.111 -21.840 167 H PHE 33 H PHE 33 -2.694 13.631 -25.102 168 HA PHE 33 HA PHE 33 -4.256 14.048 -27.566 169 HB2 PHE 33 HB2 PHE 33 -1.247 14.107 -27.442 170 HB3 PHE 33 HB3 PHE 33 -2.301 14.712 -28.716 171 HD1 PHE 33 HD1 PHE 33 -4.254 16.267 -27.154 172 HD2 PHE 33 HD2 PHE 33 -0.025 15.961 -26.777 173 HE1 PHE 33 HE1 PHE 33 -4.185 18.511 -26.146 174 HE2 PHE 33 HE2 PHE 33 0.050 18.203 -25.767 175 HZ PHE 33 HZ PHE 33 -2.031 19.482 -25.452 176 H CYS 34 H CYS 34 -1.671 12.108 -26.092 177 HA CYS 34 HA CYS 34 -2.286 9.948 -27.991 178 HB2 CYS 34 HB2 CYS 34 -0.088 9.025 -27.413 179 HB3 CYS 34 HB3 CYS 34 0.054 10.683 -27.987 180 H ASN 35 H ASN 35 -2.613 10.909 -24.750 181 HA ASN 35 HA ASN 35 -3.556 9.901 -22.939 182 HB2 ASN 35 HB2 ASN 35 -4.931 8.830 -24.946 183 HB3 ASN 35 HB3 ASN 35 -4.095 7.370 -24.423 184 HD21 ASN 35 HD21 ASN 35 -4.716 6.368 -22.585 185 HD22 ASN 35 HD22 ASN 35 -6.038 6.884 -21.600 186 H GLU 36 H GLU 36 -1.017 9.880 -22.677 187 HA GLU 36 HA GLU 36 -0.385 7.254 -21.587 188 HB2 GLU 36 HB2 GLU 36 1.269 8.664 -23.672 189 HB3 GLU 36 HB3 GLU 36 1.966 7.479 -22.577 190 HG2 GLU 36 HG2 GLU 36 -0.258 6.195 -23.571 191 HG3 GLU 36 HG3 GLU 36 0.353 7.097 -24.957 192 H ASP 37 H ASP 37 1.276 7.290 -19.991 193 HA ASP 37 HA ASP 37 1.548 9.919 -18.731 194 HB2 ASP 37 HB2 ASP 37 2.222 7.222 -17.547 195 HB3 ASP 37 HB3 ASP 37 2.027 8.748 -16.689 196 H PHE 38 H PHE 38 3.502 10.834 -18.232 197 HA PHE 38 HA PHE 38 5.964 9.397 -18.783 198 HB2 PHE 38 HB2 PHE 38 5.321 11.968 -20.242 199 HB3 PHE 38 HB3 PHE 38 6.817 11.046 -20.358 200 HD1 PHE 38 HD1 PHE 38 6.714 8.712 -21.329 201 HD2 PHE 38 HD2 PHE 38 3.506 11.493 -21.629 202 HE1 PHE 38 HE1 PHE 38 5.773 7.420 -23.199 203 HE2 PHE 38 HE2 PHE 38 2.559 10.205 -23.499 204 HZ PHE 38 HZ PHE 38 3.693 8.165 -24.286 205 H CYS 39 H CYS 39 7.639 10.088 -17.555 206 HA CYS 39 HA CYS 39 7.243 11.555 -15.264 207 HB2 CYS 39 HB2 CYS 39 9.589 11.519 -14.944 208 HB3 CYS 39 HB3 CYS 39 9.220 10.064 -15.866 209 H SER 40 H SER 40 8.114 13.646 -14.604 210 HA SER 40 HA SER 40 7.148 15.764 -16.097 211 HB2 SER 40 HB2 SER 40 9.474 16.139 -14.231 212 HB3 SER 40 HB3 SER 40 8.076 17.184 -14.484 213 HG SER 40 HG SER 40 8.152 15.813 -12.504 214 H ASN 41 H ASN 41 10.351 14.317 -16.093 215 HA ASN 41 HA ASN 41 11.702 16.285 -17.566 216 HB2 ASN 41 HB2 ASN 41 12.354 13.833 -16.440 217 HB3 ASN 41 HB3 ASN 41 12.587 13.572 -18.166 218 HD21 ASN 41 HD21 ASN 41 14.040 14.574 -15.394 219 HD22 ASN 41 HD22 ASN 41 15.336 15.498 -16.066 220 H HIS 42 H HIS 42 9.513 13.760 -18.533 221 HA HIS 42 HA HIS 42 9.925 14.517 -21.352 222 HB2 HIS 42 HB2 HIS 42 9.121 11.877 -20.135 223 HB3 HIS 42 HB3 HIS 42 8.892 12.238 -21.843 224 HD2 HIS 42 HD2 HIS 42 11.536 13.053 -23.058 225 HE1 HIS 42 HE1 HIS 42 13.554 10.313 -20.524 226 HE2 HIS 42 HE2 HIS 42 13.716 11.740 -22.595 227 H ARG 43 H ARG 43 8.128 15.613 -19.174 228 HA ARG 43 HA ARG 43 5.466 14.915 -19.613 229 HB2 ARG 43 HB2 ARG 43 4.899 17.088 -18.655 230 HB3 ARG 43 HB3 ARG 43 6.202 16.330 -17.749 231 HG2 ARG 43 HG2 ARG 43 7.761 17.744 -19.236 232 HG3 ARG 43 HG3 ARG 43 6.309 18.683 -19.589 233 HD2 ARG 43 HD2 ARG 43 6.840 18.091 -16.743 234 HD3 ARG 43 HD3 ARG 43 7.951 19.210 -17.532 235 HE ARG 43 HE ARG 43 5.191 19.838 -17.994 236 HH11 ARG 43 HH11 ARG 43 7.867 20.207 -15.800 237 HH12 ARG 43 HH12 ARG 43 7.255 21.665 -15.091 238 HH21 ARG 43 HH21 ARG 43 4.374 21.757 -17.070 239 HH22 ARG 43 HH22 ARG 43 5.267 22.545 -15.814 240 H LEU 44 H LEU 44 7.552 17.179 -21.332 241 HA LEU 44 HA LEU 44 5.702 18.504 -22.897 242 HB2 LEU 44 HB2 LEU 44 8.393 17.554 -23.856 243 HB3 LEU 44 HB3 LEU 44 7.479 18.941 -24.443 244 HG LEU 44 HG LEU 44 8.688 18.708 -21.688 245 HD11 LEU 44 HD11 LEU 44 10.539 19.802 -22.402 246 HD12 LEU 44 HD12 LEU 44 9.680 20.653 -23.686 247 HD13 LEU 44 HD13 LEU 44 10.144 18.966 -23.904 248 HD21 LEU 44 HD21 LEU 44 6.584 20.210 -22.309 249 HD22 LEU 44 HD22 LEU 44 7.854 21.284 -22.897 250 HD23 LEU 44 HD23 LEU 44 7.848 20.765 -21.211 251 H LYS 45 H LYS 45 5.346 18.214 -25.278 252 HA LYS 45 HA LYS 45 4.189 15.649 -25.751 253 HB2 LYS 45 HB2 LYS 45 4.081 18.270 -26.930 254 HB3 LYS 45 HB3 LYS 45 4.328 17.066 -28.188 255 HG2 LYS 45 HG2 LYS 45 2.368 15.903 -26.704 256 HG3 LYS 45 HG3 LYS 45 1.974 17.616 -26.541 257 HD2 LYS 45 HD2 LYS 45 2.516 16.293 -29.192 258 HD3 LYS 45 HD3 LYS 45 0.902 16.423 -28.490 259 HE2 LYS 45 HE2 LYS 45 2.707 18.781 -29.000 260 HE3 LYS 45 HE3 LYS 45 1.490 18.215 -30.143 261 HZ1 LYS 45 HZ1 LYS 45 -0.216 18.626 -28.502 262 HZ2 LYS 45 HZ2 LYS 45 0.677 20.038 -28.764 263 HZ3 LYS 45 HZ3 LYS 45 0.939 19.119 -27.368 264 H GLU 46 H GLU 46 6.670 17.441 -27.592 265 HA GLU 46 HA GLU 46 7.480 15.315 -29.196 266 HB2 GLU 46 HB2 GLU 46 9.431 16.613 -29.716 267 HB3 GLU 46 HB3 GLU 46 8.073 17.716 -29.542 268 HG2 GLU 46 HG2 GLU 46 8.900 17.983 -27.113 269 HG3 GLU 46 HG3 GLU 46 10.403 17.293 -27.721 270 H ASP 47 H ASP 47 8.304 16.110 -25.910 271 HA ASP 47 HA ASP 47 10.669 14.764 -25.515 272 HB2 ASP 47 HB2 ASP 47 8.400 15.562 -23.836 273 HB3 ASP 47 HB3 ASP 47 9.279 14.166 -23.218 274 H HIS 48 H HIS 48 7.392 13.396 -25.207 275 HA HIS 48 HA HIS 48 8.533 10.706 -25.189 276 HB2 HIS 48 HB2 HIS 48 6.268 9.965 -24.592 277 HB3 HIS 48 HB3 HIS 48 6.838 11.221 -23.497 278 HD1 HIS 48 HD1 HIS 48 5.422 13.279 -23.284 279 HD2 HIS 48 HD2 HIS 48 4.304 10.901 -26.502 280 HE1 HIS 48 HE1 HIS 48 3.282 14.279 -24.147 281 H HIS 49 H HIS 49 8.308 12.552 -27.583 282 HA HIS 49 HA HIS 49 7.750 12.460 -29.793 283 HB2 HIS 49 HB2 HIS 49 7.942 9.507 -29.172 284 HB3 HIS 49 HB3 HIS 49 7.867 10.174 -30.800 285 HD1 HIS 49 HD1 HIS 49 9.928 11.817 -31.431 286 HD2 HIS 49 HD2 HIS 49 10.450 9.350 -28.129 287 HE1 HIS 49 HE1 HIS 49 12.407 11.771 -31.011 288 H CYS 50 H CYS 50 5.566 13.154 -28.557 289 HA CYS 50 HA CYS 50 3.341 11.522 -28.498 290 HB2 CYS 50 HB2 CYS 50 3.599 13.979 -27.764 291 HB3 CYS 50 HB3 CYS 50 3.185 14.382 -29.427 292 H ARG 51 H ARG 51 2.197 10.480 -29.985 293 HA ARG 51 HA ARG 51 2.881 10.313 -32.659 294 HB2 ARG 51 HB2 ARG 51 0.530 9.374 -32.954 295 HB3 ARG 51 HB3 ARG 51 1.559 8.573 -31.774 296 HG2 ARG 51 HG2 ARG 51 0.369 9.419 -29.971 297 HG3 ARG 51 HG3 ARG 51 -0.343 10.720 -30.929 298 HD2 ARG 51 HD2 ARG 51 -1.314 8.600 -32.256 299 HD3 ARG 51 HD3 ARG 51 -1.161 7.893 -30.648 300 HE ARG 51 HE ARG 51 -2.464 10.436 -30.606 301 HH11 ARG 51 HH11 ARG 51 -2.932 7.037 -31.194 302 HH12 ARG 51 HH12 ARG 51 -4.622 7.071 -30.815 303 HH21 ARG 51 HH21 ARG 51 -4.689 10.494 -30.105 304 HH22 ARG 51 HH22 ARG 51 -5.621 9.038 -30.197 305 H TRP 52 H TRP 52 0.624 12.482 -31.064 306 HA TRP 52 HA TRP 52 -0.670 13.501 -33.330 307 HB2 TRP 52 HB2 TRP 52 -1.270 13.858 -30.874 308 HB3 TRP 52 HB3 TRP 52 -0.039 15.118 -30.863 309 HD1 TRP 52 HD1 TRP 52 -3.577 14.408 -32.006 310 HE1 TRP 52 HE1 TRP 52 -4.614 16.569 -32.944 311 HE3 TRP 52 HE3 TRP 52 0.614 17.333 -32.131 312 HZ2 TRP 52 HZ2 TRP 52 -3.767 19.169 -33.645 313 HZ3 TRP 52 HZ3 TRP 52 0.415 19.644 -32.950 314 HH2 TRP 52 HH2 TRP 52 -1.731 20.541 -33.691 315 H LEU 53 H LEU 53 2.346 14.443 -31.755 316 HA LEU 53 HA LEU 53 2.815 16.772 -33.277 317 HB2 LEU 53 HB2 LEU 53 4.239 15.153 -31.346 318 HB3 LEU 53 HB3 LEU 53 5.311 15.740 -32.616 319 HG LEU 53 HG LEU 53 3.595 17.434 -30.802 320 HD11 LEU 53 HD11 LEU 53 5.619 18.119 -29.769 321 HD12 LEU 53 HD12 LEU 53 6.595 17.266 -30.964 322 HD13 LEU 53 HD13 LEU 53 5.629 16.356 -29.802 323 HD21 LEU 53 HD21 LEU 53 5.286 19.158 -31.969 324 HD22 LEU 53 HD22 LEU 53 3.669 18.818 -32.587 325 HD23 LEU 53 HD23 LEU 53 5.071 18.012 -33.292 326 H LEU 54 H LEU 54 3.622 13.383 -33.783 327 HA LEU 54 HA LEU 54 5.297 13.821 -36.044 328 HB2 LEU 54 HB2 LEU 54 3.792 11.280 -35.579 329 HB3 LEU 54 HB3 LEU 54 5.406 11.510 -36.249 330 HG LEU 54 HG LEU 54 4.604 11.761 -33.351 331 HD11 LEU 54 HD11 LEU 54 6.337 9.878 -33.206 332 HD12 LEU 54 HD12 LEU 54 6.086 9.697 -34.942 333 HD13 LEU 54 HD13 LEU 54 4.735 9.484 -33.828 334 HD21 LEU 54 HD21 LEU 54 6.334 13.174 -33.222 335 HD22 LEU 54 HD22 LEU 54 6.920 12.752 -34.831 336 HD23 LEU 54 HD23 LEU 54 7.338 11.741 -33.447 337 H GLU 55 H GLU 55 1.965 12.578 -35.752 338 HA GLU 55 HA GLU 55 1.426 12.463 -38.496 339 HB2 GLU 55 HB2 GLU 55 -0.906 12.310 -37.885 340 HB3 GLU 55 HB3 GLU 55 0.050 11.380 -36.740 341 HG2 GLU 55 HG2 GLU 55 -0.032 13.415 -35.235 342 HG3 GLU 55 HG3 GLU 55 -1.264 14.045 -36.327 343 H HIS 56 H HIS 56 1.161 15.098 -36.188 344 HA HIS 56 HA HIS 56 0.640 16.923 -38.435 345 HB2 HIS 56 HB2 HIS 56 -0.985 16.485 -36.045 346 HB3 HIS 56 HB3 HIS 56 -0.540 18.174 -36.270 347 HD1 HIS 56 HD1 HIS 56 -1.469 19.372 -38.381 348 HD2 HIS 56 HD2 HIS 56 -2.802 15.467 -37.896 349 HE1 HIS 56 HE1 HIS 56 -3.403 19.120 -39.968 350 H GLU 57 H GLU 57 2.875 17.397 -38.465 351 HA GLU 57 HA GLU 57 4.261 18.322 -36.151 352 HB2 GLU 57 HB2 GLU 57 5.040 18.887 -39.007 353 HB3 GLU 57 HB3 GLU 57 6.089 18.761 -37.602 354 HG2 GLU 57 HG2 GLU 57 4.932 16.303 -37.630 355 HG3 GLU 57 HG3 GLU 57 5.018 16.674 -39.351 356 H GLU 58 H GLU 58 2.926 19.962 -35.296 357 HA GLU 58 HA GLU 58 1.990 22.196 -36.687 358 HB2 GLU 58 HB2 GLU 58 1.919 23.290 -34.424 359 HB3 GLU 58 HB3 GLU 58 1.104 21.736 -34.522 360 HG2 GLU 58 HG2 GLU 58 2.915 20.638 -33.416 361 HG3 GLU 58 HG3 GLU 58 3.900 22.099 -33.477 362 H VAL 59 H VAL 59 2.759 24.507 -35.932 363 HA VAL 59 HA VAL 59 5.625 24.654 -36.577 364 HB VAL 59 HB VAL 59 4.063 25.756 -38.167 365 HG11 VAL 59 HG11 VAL 59 2.816 26.657 -35.848 366 HG12 VAL 59 HG12 VAL 59 3.552 28.097 -36.555 367 HG13 VAL 59 HG13 VAL 59 2.433 27.119 -37.506 368 HG21 VAL 59 HG21 VAL 59 5.592 27.342 -38.633 369 HG22 VAL 59 HG22 VAL 59 5.507 28.049 -37.020 370 HG23 VAL 59 HG23 VAL 59 6.481 26.606 -37.300 Start of MODEL 8 1 H MET 11 H MET 11 -4.648 -1.312 -3.552 2 HA MET 11 HA MET 11 -3.061 -1.631 -5.902 3 HB2 MET 11 HB2 MET 11 -4.141 0.825 -4.515 4 HB3 MET 11 HB3 MET 11 -3.280 0.871 -6.048 5 HG2 MET 11 HG2 MET 11 -5.032 0.072 -7.214 6 HG3 MET 11 HG3 MET 11 -5.558 -0.988 -5.909 7 HE1 MET 11 HE1 MET 11 -8.309 -0.335 -6.062 8 HE2 MET 11 HE2 MET 11 -7.393 -0.723 -4.606 9 HE3 MET 11 HE3 MET 11 -8.533 0.624 -4.598 10 H LEU 12 H LEU 12 -0.924 -1.604 -6.054 11 HA LEU 12 HA LEU 12 0.617 -0.171 -3.992 12 HB2 LEU 12 HB2 LEU 12 1.726 -2.560 -5.397 13 HB3 LEU 12 HB3 LEU 12 2.171 -1.874 -3.836 14 HG LEU 12 HG LEU 12 -0.433 -2.722 -3.454 15 HD11 LEU 12 HD11 LEU 12 0.314 -3.985 -5.754 16 HD12 LEU 12 HD12 LEU 12 -0.895 -4.576 -4.615 17 HD13 LEU 12 HD13 LEU 12 0.764 -5.165 -4.523 18 HD21 LEU 12 HD21 LEU 12 2.276 -3.754 -2.752 19 HD22 LEU 12 HD22 LEU 12 0.854 -4.710 -2.335 20 HD23 LEU 12 HD23 LEU 12 1.026 -3.068 -1.714 21 H ASP 13 H ASP 13 1.368 1.602 -4.963 22 HA ASP 13 HA ASP 13 3.230 1.383 -7.111 23 HB2 ASP 13 HB2 ASP 13 0.542 1.690 -7.875 24 HB3 ASP 13 HB3 ASP 13 1.277 3.278 -8.072 25 H VAL 14 H VAL 14 4.698 2.539 -5.977 26 HA VAL 14 HA VAL 14 3.972 4.999 -4.643 27 HB VAL 14 HB VAL 14 6.404 5.129 -4.094 28 HG11 VAL 14 HG11 VAL 14 6.353 2.858 -2.788 29 HG12 VAL 14 HG12 VAL 14 5.215 4.146 -2.390 30 HG13 VAL 14 HG13 VAL 14 4.697 2.788 -3.389 31 HG21 VAL 14 HG21 VAL 14 7.915 3.912 -5.177 32 HG22 VAL 14 HG22 VAL 14 7.071 2.420 -4.765 33 HG23 VAL 14 HG23 VAL 14 6.628 3.311 -6.221 34 H GLY 15 H GLY 15 3.281 5.506 -7.122 35 HA2 GLY 15 HA2 GLY 15 3.698 7.565 -8.314 36 HA3 GLY 15 HA3 GLY 15 5.419 7.285 -8.098 37 H LYS 16 H LYS 16 4.276 7.884 -10.575 38 HA LYS 16 HA LYS 16 4.303 5.322 -12.010 39 HB2 LYS 16 HB2 LYS 16 2.764 7.697 -12.296 40 HB3 LYS 16 HB3 LYS 16 3.749 7.524 -13.743 41 HG2 LYS 16 HG2 LYS 16 1.983 6.292 -14.413 42 HG3 LYS 16 HG3 LYS 16 2.851 5.019 -13.552 43 HD2 LYS 16 HD2 LYS 16 1.486 5.857 -11.498 44 HD3 LYS 16 HD3 LYS 16 0.426 6.561 -12.721 45 HE2 LYS 16 HE2 LYS 16 -0.138 4.476 -13.602 46 HE3 LYS 16 HE3 LYS 16 1.257 3.685 -12.870 47 HZ1 LYS 16 HZ1 LYS 16 -0.335 3.005 -11.435 48 HZ2 LYS 16 HZ2 LYS 16 -1.329 4.347 -11.697 49 HZ3 LYS 16 HZ3 LYS 16 0.022 4.480 -10.688 50 H HIS 17 H HIS 17 5.887 4.805 -13.413 51 HA HIS 17 HA HIS 17 8.207 6.558 -13.518 52 HB2 HIS 17 HB2 HIS 17 7.962 3.815 -14.749 53 HB3 HIS 17 HB3 HIS 17 9.432 4.671 -14.292 54 HD1 HIS 17 HD1 HIS 17 6.422 3.033 -12.670 55 HD2 HIS 17 HD2 HIS 17 10.333 4.115 -11.782 56 HE1 HIS 17 HE1 HIS 17 6.885 2.069 -10.394 57 H CYS 18 H CYS 18 8.997 7.530 -15.324 58 HA CYS 18 HA CYS 18 7.319 8.306 -17.367 59 HB2 CYS 18 HB2 CYS 18 9.572 9.296 -16.721 60 HB3 CYS 18 HB3 CYS 18 10.305 8.029 -17.699 61 H ALA 19 H ALA 19 7.078 7.718 -19.543 62 HA ALA 19 HA ALA 19 7.592 4.879 -20.054 63 HB1 ALA 19 HB1 ALA 19 6.012 5.922 -22.119 64 HB2 ALA 19 HB2 ALA 19 5.492 4.908 -20.773 65 HB3 ALA 19 HB3 ALA 19 5.419 6.664 -20.633 66 H TYR 20 H TYR 20 9.447 7.327 -20.407 67 HA TYR 20 HA TYR 20 10.321 6.595 -23.119 68 HB2 TYR 20 HB2 TYR 20 9.187 8.951 -22.759 69 HB3 TYR 20 HB3 TYR 20 10.771 9.379 -22.123 70 HD1 TYR 20 HD1 TYR 20 12.593 9.796 -23.573 71 HD2 TYR 20 HD2 TYR 20 9.004 8.116 -25.123 72 HE1 TYR 20 HE1 TYR 20 13.415 10.165 -25.861 73 HE2 TYR 20 HE2 TYR 20 9.817 8.480 -27.416 74 HH TYR 20 HH TYR 20 13.011 9.193 -28.141 75 H CYS 21 H CYS 21 11.250 8.052 -20.020 76 HA CYS 21 HA CYS 21 13.999 7.098 -20.478 77 HB2 CYS 21 HB2 CYS 21 14.816 8.868 -19.140 78 HB3 CYS 21 HB3 CYS 21 13.594 9.601 -20.175 79 H ARG 22 H ARG 22 11.192 6.615 -18.681 80 HA ARG 22 HA ARG 22 10.666 5.274 -16.921 81 HB2 ARG 22 HB2 ARG 22 13.230 4.164 -17.912 82 HB3 ARG 22 HB3 ARG 22 12.736 3.667 -16.299 83 HG2 ARG 22 HG2 ARG 22 10.559 3.508 -18.207 84 HG3 ARG 22 HG3 ARG 22 11.948 2.529 -18.684 85 HD2 ARG 22 HD2 ARG 22 11.899 1.750 -16.199 86 HD3 ARG 22 HD3 ARG 22 10.237 2.337 -16.240 87 HE ARG 22 HE ARG 22 11.282 -0.019 -17.525 88 HH11 ARG 22 HH11 ARG 22 8.744 2.364 -17.506 89 HH12 ARG 22 HH12 ARG 22 7.602 1.343 -18.316 90 HH21 ARG 22 HH21 ARG 22 9.788 -1.372 -18.591 91 HH22 ARG 22 HH22 ARG 22 8.196 -0.782 -18.931 92 H GLN 23 H GLN 23 10.830 7.423 -15.785 93 HA GLN 23 HA GLN 23 12.908 7.299 -13.699 94 HB2 GLN 23 HB2 GLN 23 11.880 9.555 -15.308 95 HB3 GLN 23 HB3 GLN 23 12.107 9.884 -13.595 96 HG2 GLN 23 HG2 GLN 23 14.433 9.188 -13.756 97 HG3 GLN 23 HG3 GLN 23 14.212 8.821 -15.466 98 HE21 GLN 23 HE21 GLN 23 16.097 10.640 -14.344 99 HE22 GLN 23 HE22 GLN 23 15.727 12.211 -14.959 100 H LEU 24 H LEU 24 12.066 6.633 -11.845 101 HA LEU 24 HA LEU 24 9.323 6.563 -11.252 102 HB2 LEU 24 HB2 LEU 24 11.234 5.205 -10.238 103 HB3 LEU 24 HB3 LEU 24 11.499 6.591 -9.183 104 HG LEU 24 HG LEU 24 8.845 5.188 -9.329 105 HD11 LEU 24 HD11 LEU 24 9.462 3.792 -7.513 106 HD12 LEU 24 HD12 LEU 24 11.020 4.599 -7.336 107 HD13 LEU 24 HD13 LEU 24 10.702 3.598 -8.753 108 HD21 LEU 24 HD21 LEU 24 9.061 6.121 -6.839 109 HD22 LEU 24 HD22 LEU 24 8.426 7.090 -8.169 110 HD23 LEU 24 HD23 LEU 24 10.104 7.282 -7.660 111 H ASP 25 H ASP 25 8.153 8.384 -11.176 112 HA ASP 25 HA ASP 25 9.150 10.589 -9.493 113 HB2 ASP 25 HB2 ASP 25 8.587 10.798 -12.118 114 HB3 ASP 25 HB3 ASP 25 6.989 11.126 -11.452 115 H PHE 26 H PHE 26 7.435 11.876 -8.423 116 HA PHE 26 HA PHE 26 5.457 10.073 -7.265 117 HB2 PHE 26 HB2 PHE 26 6.040 12.906 -6.407 118 HB3 PHE 26 HB3 PHE 26 5.281 11.625 -5.468 119 HD1 PHE 26 HD1 PHE 26 8.460 12.849 -6.855 120 HD2 PHE 26 HD2 PHE 26 6.578 10.017 -4.294 121 HE1 PHE 26 HE1 PHE 26 10.653 12.243 -5.919 122 HE2 PHE 26 HE2 PHE 26 8.769 9.407 -3.354 123 HZ PHE 26 HZ PHE 26 10.810 10.520 -4.167 124 H LEU 27 H LEU 27 5.647 13.129 -9.016 125 HA LEU 27 HA LEU 27 2.714 13.120 -9.266 126 HB2 LEU 27 HB2 LEU 27 4.674 15.214 -8.844 127 HB3 LEU 27 HB3 LEU 27 3.642 15.551 -10.233 128 HG LEU 27 HG LEU 27 2.448 14.815 -7.584 129 HD11 LEU 27 HD11 LEU 27 3.525 16.610 -6.739 130 HD12 LEU 27 HD12 LEU 27 2.234 17.485 -7.560 131 HD13 LEU 27 HD13 LEU 27 3.814 17.324 -8.325 132 HD21 LEU 27 HD21 LEU 27 0.999 16.778 -8.984 133 HD22 LEU 27 HD22 LEU 27 0.577 15.082 -8.745 134 HD23 LEU 27 HD23 LEU 27 1.491 15.572 -10.172 135 HA PRO 28 HA PRO 28 4.192 11.852 -13.433 136 HB2 PRO 28 HB2 PRO 28 2.064 10.240 -13.925 137 HB3 PRO 28 HB3 PRO 28 3.490 9.701 -13.031 138 HG2 PRO 28 HG2 PRO 28 0.838 10.622 -11.991 139 HG3 PRO 28 HG3 PRO 28 1.834 9.254 -11.461 140 HD2 PRO 28 HD2 PRO 28 1.774 11.613 -10.132 141 HD3 PRO 28 HD3 PRO 28 3.225 10.592 -10.200 142 H PHE 29 H PHE 29 3.763 13.076 -15.153 143 HA PHE 29 HA PHE 29 1.377 14.723 -15.186 144 HB2 PHE 29 HB2 PHE 29 3.903 14.636 -16.810 145 HB3 PHE 29 HB3 PHE 29 2.513 15.560 -17.371 146 HD1 PHE 29 HD1 PHE 29 1.973 17.654 -16.430 147 HD2 PHE 29 HD2 PHE 29 4.970 15.220 -14.640 148 HE1 PHE 29 HE1 PHE 29 2.652 19.543 -15.008 149 HE2 PHE 29 HE2 PHE 29 5.654 17.104 -13.214 150 HZ PHE 29 HZ PHE 29 4.494 19.269 -13.396 151 H HIS 30 H HIS 30 -0.427 13.763 -15.881 152 HA HIS 30 HA HIS 30 -0.386 11.676 -17.862 153 HB2 HIS 30 HB2 HIS 30 -2.006 11.556 -16.058 154 HB3 HIS 30 HB3 HIS 30 -2.680 13.117 -16.516 155 HD1 HIS 30 HD1 HIS 30 -2.649 9.513 -17.500 156 HD2 HIS 30 HD2 HIS 30 -4.415 13.072 -18.714 157 HE1 HIS 30 HE1 HIS 30 -4.455 8.849 -19.118 158 H CYS 31 H CYS 31 -0.531 11.914 -19.990 159 HA CYS 31 HA CYS 31 -0.934 14.560 -21.105 160 HB2 CYS 31 HB2 CYS 31 0.793 12.719 -21.836 161 HB3 CYS 31 HB3 CYS 31 -0.561 12.105 -22.780 162 H SER 32 H SER 32 -2.714 15.273 -22.113 163 HA SER 32 HA SER 32 -5.047 13.526 -22.149 164 HB2 SER 32 HB2 SER 32 -4.781 16.127 -21.409 165 HB3 SER 32 HB3 SER 32 -5.327 16.319 -23.074 166 HG SER 32 HG SER 32 -7.195 15.323 -22.596 167 H PHE 33 H PHE 33 -2.708 13.552 -24.137 168 HA PHE 33 HA PHE 33 -4.338 13.821 -26.578 169 HB2 PHE 33 HB2 PHE 33 -1.551 14.587 -25.963 170 HB3 PHE 33 HB3 PHE 33 -1.793 13.809 -27.524 171 HD1 PHE 33 HD1 PHE 33 -4.307 15.929 -25.877 172 HD2 PHE 33 HD2 PHE 33 -1.289 15.702 -28.870 173 HE1 PHE 33 HE1 PHE 33 -5.084 18.066 -26.817 174 HE2 PHE 33 HE2 PHE 33 -2.061 17.839 -29.814 175 HZ PHE 33 HZ PHE 33 -3.960 19.024 -28.788 176 H CYS 34 H CYS 34 -1.716 11.957 -25.071 177 HA CYS 34 HA CYS 34 -2.382 9.704 -26.842 178 HB2 CYS 34 HB2 CYS 34 -0.156 8.821 -26.304 179 HB3 CYS 34 HB3 CYS 34 -0.049 10.446 -26.974 180 H ASN 35 H ASN 35 -2.558 10.827 -23.635 181 HA ASN 35 HA ASN 35 -3.420 9.911 -21.737 182 HB2 ASN 35 HB2 ASN 35 -4.884 8.744 -23.627 183 HB3 ASN 35 HB3 ASN 35 -4.027 7.311 -23.066 184 HD21 ASN 35 HD21 ASN 35 -4.680 6.339 -21.255 185 HD22 ASN 35 HD22 ASN 35 -5.913 6.935 -20.202 186 H GLU 36 H GLU 36 -0.872 9.898 -21.593 187 HA GLU 36 HA GLU 36 -0.183 7.302 -20.448 188 HB2 GLU 36 HB2 GLU 36 1.393 8.716 -22.590 189 HB3 GLU 36 HB3 GLU 36 2.143 7.565 -21.493 190 HG2 GLU 36 HG2 GLU 36 -0.079 6.220 -22.418 191 HG3 GLU 36 HG3 GLU 36 0.494 7.105 -23.830 192 H ASP 37 H ASP 37 1.702 7.408 -19.021 193 HA ASP 37 HA ASP 37 1.816 10.006 -17.677 194 HB2 ASP 37 HB2 ASP 37 2.720 7.279 -16.727 195 HB3 ASP 37 HB3 ASP 37 2.736 8.756 -15.767 196 H PHE 38 H PHE 38 3.707 11.097 -17.292 197 HA PHE 38 HA PHE 38 6.246 9.946 -18.091 198 HB2 PHE 38 HB2 PHE 38 5.173 12.431 -19.445 199 HB3 PHE 38 HB3 PHE 38 6.785 11.758 -19.660 200 HD1 PHE 38 HD1 PHE 38 6.967 9.406 -20.623 201 HD2 PHE 38 HD2 PHE 38 3.406 11.732 -20.783 202 HE1 PHE 38 HE1 PHE 38 6.136 8.001 -22.464 203 HE2 PHE 38 HE2 PHE 38 2.569 10.330 -22.624 204 HZ PHE 38 HZ PHE 38 3.934 8.461 -23.466 205 H CYS 39 H CYS 39 7.930 10.781 -16.973 206 HA CYS 39 HA CYS 39 7.562 12.173 -14.627 207 HB2 CYS 39 HB2 CYS 39 9.915 12.342 -14.469 208 HB3 CYS 39 HB3 CYS 39 9.622 10.882 -15.407 209 H SER 40 H SER 40 8.270 14.328 -13.989 210 HA SER 40 HA SER 40 7.013 16.361 -15.385 211 HB2 SER 40 HB2 SER 40 7.800 17.795 -13.753 212 HB3 SER 40 HB3 SER 40 8.006 16.245 -12.939 213 HG SER 40 HG SER 40 9.867 18.055 -13.602 214 H ASN 41 H ASN 41 10.328 15.219 -15.600 215 HA ASN 41 HA ASN 41 11.392 17.333 -17.115 216 HB2 ASN 41 HB2 ASN 41 12.392 15.025 -16.018 217 HB3 ASN 41 HB3 ASN 41 12.470 14.673 -17.742 218 HD21 ASN 41 HD21 ASN 41 13.784 16.458 -15.138 219 HD22 ASN 41 HD22 ASN 41 15.038 17.254 -16.021 220 H HIS 42 H HIS 42 9.381 14.640 -17.976 221 HA HIS 42 HA HIS 42 9.561 15.442 -20.807 222 HB2 HIS 42 HB2 HIS 42 9.112 12.719 -19.588 223 HB3 HIS 42 HB3 HIS 42 8.754 13.071 -21.276 224 HD2 HIS 42 HD2 HIS 42 11.266 14.276 -22.540 225 HE1 HIS 42 HE1 HIS 42 13.630 11.565 -20.289 226 HE2 HIS 42 HE2 HIS 42 13.575 13.144 -22.252 227 H ARG 43 H ARG 43 7.791 16.317 -18.510 228 HA ARG 43 HA ARG 43 5.195 15.338 -18.819 229 HB2 ARG 43 HB2 ARG 43 4.457 17.422 -17.773 230 HB3 ARG 43 HB3 ARG 43 5.873 16.776 -16.954 231 HG2 ARG 43 HG2 ARG 43 7.203 18.378 -18.477 232 HG3 ARG 43 HG3 ARG 43 5.648 19.177 -18.720 233 HD2 ARG 43 HD2 ARG 43 6.177 18.600 -15.922 234 HD3 ARG 43 HD3 ARG 43 7.422 19.620 -16.643 235 HE ARG 43 HE ARG 43 4.690 20.338 -16.098 236 HH11 ARG 43 HH11 ARG 43 7.515 21.033 -18.010 237 HH12 ARG 43 HH12 ARG 43 7.057 22.673 -18.328 238 HH21 ARG 43 HH21 ARG 43 4.075 22.496 -16.510 239 HH22 ARG 43 HH22 ARG 43 5.101 23.504 -17.473 240 H LEU 44 H LEU 44 6.924 17.864 -20.573 241 HA LEU 44 HA LEU 44 4.836 18.988 -22.005 242 HB2 LEU 44 HB2 LEU 44 7.567 18.454 -23.145 243 HB3 LEU 44 HB3 LEU 44 6.458 19.759 -23.562 244 HG LEU 44 HG LEU 44 7.965 19.460 -20.965 245 HD11 LEU 44 HD11 LEU 44 8.276 21.702 -22.912 246 HD12 LEU 44 HD12 LEU 44 9.138 20.185 -23.169 247 HD13 LEU 44 HD13 LEU 44 9.402 21.109 -21.690 248 HD21 LEU 44 HD21 LEU 44 5.970 21.508 -21.907 249 HD22 LEU 44 HD22 LEU 44 7.080 21.778 -20.564 250 HD23 LEU 44 HD23 LEU 44 5.881 20.488 -20.472 251 H LYS 45 H LYS 45 4.494 18.735 -24.417 252 HA LYS 45 HA LYS 45 3.667 16.043 -24.934 253 HB2 LYS 45 HB2 LYS 45 3.155 18.667 -26.021 254 HB3 LYS 45 HB3 LYS 45 3.479 17.524 -27.318 255 HG2 LYS 45 HG2 LYS 45 1.749 16.183 -25.595 256 HG3 LYS 45 HG3 LYS 45 1.128 17.833 -25.685 257 HD2 LYS 45 HD2 LYS 45 1.880 16.262 -28.137 258 HD3 LYS 45 HD3 LYS 45 0.269 16.177 -27.420 259 HE2 LYS 45 HE2 LYS 45 1.646 18.662 -28.435 260 HE3 LYS 45 HE3 LYS 45 0.327 17.804 -29.229 261 HZ1 LYS 45 HZ1 LYS 45 -0.893 19.341 -28.150 262 HZ2 LYS 45 HZ2 LYS 45 0.261 19.596 -26.940 263 HZ3 LYS 45 HZ3 LYS 45 -0.766 18.254 -26.859 264 H GLU 46 H GLU 46 5.785 18.244 -26.786 265 HA GLU 46 HA GLU 46 6.819 16.352 -28.530 266 HB2 GLU 46 HB2 GLU 46 7.320 19.069 -27.890 267 HB3 GLU 46 HB3 GLU 46 8.871 18.241 -27.888 268 HG2 GLU 46 HG2 GLU 46 7.611 17.296 -30.162 269 HG3 GLU 46 HG3 GLU 46 7.179 19.004 -30.105 270 H ASP 47 H ASP 47 7.590 16.964 -25.205 271 HA ASP 47 HA ASP 47 10.127 15.939 -24.935 272 HB2 ASP 47 HB2 ASP 47 7.740 16.069 -23.170 273 HB3 ASP 47 HB3 ASP 47 9.039 14.986 -22.676 274 H HIS 48 H HIS 48 7.082 14.094 -24.766 275 HA HIS 48 HA HIS 48 8.608 11.610 -25.039 276 HB2 HIS 48 HB2 HIS 48 6.499 10.485 -24.447 277 HB3 HIS 48 HB3 HIS 48 6.957 11.681 -23.238 278 HD1 HIS 48 HD1 HIS 48 5.456 13.770 -23.007 279 HD2 HIS 48 HD2 HIS 48 4.151 11.051 -25.864 280 HE1 HIS 48 HE1 HIS 48 3.111 14.473 -23.583 281 H HIS 49 H HIS 49 7.934 13.653 -27.203 282 HA HIS 49 HA HIS 49 7.200 13.709 -29.368 283 HB2 HIS 49 HB2 HIS 49 8.316 10.940 -29.025 284 HB3 HIS 49 HB3 HIS 49 7.660 11.458 -30.575 285 HD1 HIS 49 HD1 HIS 49 8.780 14.373 -30.538 286 HD2 HIS 49 HD2 HIS 49 10.977 10.956 -29.670 287 HE1 HIS 49 HE1 HIS 49 11.179 14.989 -30.971 288 H CYS 50 H CYS 50 4.991 13.811 -28.132 289 HA CYS 50 HA CYS 50 3.197 11.724 -28.033 290 HB2 CYS 50 HB2 CYS 50 2.976 14.260 -27.371 291 HB3 CYS 50 HB3 CYS 50 2.252 14.406 -28.969 292 H ARG 51 H ARG 51 1.922 10.648 -29.449 293 HA ARG 51 HA ARG 51 2.639 10.374 -32.103 294 HB2 ARG 51 HB2 ARG 51 0.501 9.201 -32.412 295 HB3 ARG 51 HB3 ARG 51 1.300 8.713 -30.923 296 HG2 ARG 51 HG2 ARG 51 -0.229 10.622 -29.910 297 HG3 ARG 51 HG3 ARG 51 -1.213 10.232 -31.322 298 HD2 ARG 51 HD2 ARG 51 -0.257 8.273 -29.237 299 HD3 ARG 51 HD3 ARG 51 -1.887 8.933 -29.358 300 HE ARG 51 HE ARG 51 -0.813 6.769 -30.853 301 HH11 ARG 51 HH11 ARG 51 -2.993 9.475 -31.066 302 HH12 ARG 51 HH12 ARG 51 -3.974 8.755 -32.299 303 HH21 ARG 51 HH21 ARG 51 -2.096 5.810 -32.476 304 HH22 ARG 51 HH22 ARG 51 -3.463 6.670 -33.100 305 H TRP 52 H TRP 52 0.214 12.492 -30.664 306 HA TRP 52 HA TRP 52 -1.054 13.376 -32.979 307 HB2 TRP 52 HB2 TRP 52 -1.692 13.855 -30.563 308 HB3 TRP 52 HB3 TRP 52 -0.477 15.130 -30.591 309 HD1 TRP 52 HD1 TRP 52 -3.991 14.330 -31.741 310 HE1 TRP 52 HE1 TRP 52 -5.038 16.432 -32.796 311 HE3 TRP 52 HE3 TRP 52 0.174 17.287 -31.964 312 HZ2 TRP 52 HZ2 TRP 52 -4.208 19.002 -33.614 313 HZ3 TRP 52 HZ3 TRP 52 -0.038 19.553 -32.898 314 HH2 TRP 52 HH2 TRP 52 -2.184 20.391 -33.706 315 H LEU 53 H LEU 53 1.898 14.548 -31.418 316 HA LEU 53 HA LEU 53 2.314 16.777 -33.085 317 HB2 LEU 53 HB2 LEU 53 3.781 15.315 -31.057 318 HB3 LEU 53 HB3 LEU 53 4.837 15.886 -32.348 319 HG LEU 53 HG LEU 53 2.948 17.716 -30.889 320 HD11 LEU 53 HD11 LEU 53 5.138 18.399 -29.698 321 HD12 LEU 53 HD12 LEU 53 5.681 16.775 -30.119 322 HD13 LEU 53 HD13 LEU 53 4.248 16.992 -29.115 323 HD21 LEU 53 HD21 LEU 53 3.648 18.811 -32.792 324 HD22 LEU 53 HD22 LEU 53 5.227 18.024 -32.795 325 HD23 LEU 53 HD23 LEU 53 4.880 19.303 -31.629 326 H LEU 54 H LEU 54 3.194 13.389 -33.399 327 HA LEU 54 HA LEU 54 4.904 13.732 -35.648 328 HB2 LEU 54 HB2 LEU 54 3.415 11.201 -35.084 329 HB3 LEU 54 HB3 LEU 54 5.038 11.415 -35.736 330 HG LEU 54 HG LEU 54 4.182 11.799 -32.869 331 HD11 LEU 54 HD11 LEU 54 5.617 9.652 -34.364 332 HD12 LEU 54 HD12 LEU 54 4.370 9.521 -33.124 333 HD13 LEU 54 HD13 LEU 54 6.018 9.957 -32.673 334 HD21 LEU 54 HD21 LEU 54 6.775 11.945 -32.643 335 HD22 LEU 54 HD22 LEU 54 5.846 13.380 -33.079 336 HD23 LEU 54 HD23 LEU 54 6.702 12.470 -34.325 337 H GLU 55 H GLU 55 1.579 12.474 -35.356 338 HA GLU 55 HA GLU 55 1.107 12.243 -38.114 339 HB2 GLU 55 HB2 GLU 55 -1.256 12.090 -37.528 340 HB3 GLU 55 HB3 GLU 55 -0.281 11.136 -36.418 341 HG2 GLU 55 HG2 GLU 55 -0.364 13.154 -34.870 342 HG3 GLU 55 HG3 GLU 55 -1.642 13.759 -35.921 343 H HIS 56 H HIS 56 0.699 14.925 -35.880 344 HA HIS 56 HA HIS 56 0.095 16.659 -38.181 345 HB2 HIS 56 HB2 HIS 56 -1.372 16.317 -35.662 346 HB3 HIS 56 HB3 HIS 56 -1.016 17.996 -36.056 347 HD1 HIS 56 HD1 HIS 56 -2.470 19.089 -37.775 348 HD2 HIS 56 HD2 HIS 56 -2.914 14.958 -37.715 349 HE1 HIS 56 HE1 HIS 56 -4.401 18.598 -39.309 350 H GLU 57 H GLU 57 2.267 17.254 -38.382 351 HA GLU 57 HA GLU 57 3.427 18.706 -36.104 352 HB2 GLU 57 HB2 GLU 57 5.576 18.502 -37.403 353 HB3 GLU 57 HB3 GLU 57 4.899 16.983 -36.832 354 HG2 GLU 57 HG2 GLU 57 4.850 16.181 -38.889 355 HG3 GLU 57 HG3 GLU 57 3.880 17.547 -39.439 356 H GLU 58 H GLU 58 2.729 20.766 -36.241 357 HA GLU 58 HA GLU 58 2.552 22.111 -38.801 358 HB2 GLU 58 HB2 GLU 58 1.590 23.950 -37.584 359 HB3 GLU 58 HB3 GLU 58 0.858 22.459 -37.010 360 HG2 GLU 58 HG2 GLU 58 2.447 22.501 -35.092 361 HG3 GLU 58 HG3 GLU 58 2.976 24.092 -35.636 362 H VAL 59 H VAL 59 3.560 24.247 -39.119 363 HA VAL 59 HA VAL 59 6.261 24.316 -37.941 364 HB VAL 59 HB VAL 59 5.392 25.381 -40.632 365 HG11 VAL 59 HG11 VAL 59 7.196 26.701 -40.010 366 HG12 VAL 59 HG12 VAL 59 7.995 25.382 -39.152 367 HG13 VAL 59 HG13 VAL 59 7.963 25.397 -40.916 368 HG21 VAL 59 HG21 VAL 59 5.581 23.284 -41.350 369 HG22 VAL 59 HG22 VAL 59 7.300 23.373 -40.968 370 HG23 VAL 59 HG23 VAL 59 6.164 22.736 -39.779 Start of MODEL 9 1 H MET 11 H MET 11 3.991 -0.616 3.130 2 HA MET 11 HA MET 11 3.652 1.641 2.131 3 HB2 MET 11 HB2 MET 11 5.534 -0.370 1.223 4 HB3 MET 11 HB3 MET 11 5.180 0.795 -0.046 5 HG2 MET 11 HG2 MET 11 5.659 2.588 1.696 6 HG3 MET 11 HG3 MET 11 6.346 1.290 2.669 7 HE1 MET 11 HE1 MET 11 8.021 3.916 1.726 8 HE2 MET 11 HE2 MET 11 8.590 2.628 2.786 9 HE3 MET 11 HE3 MET 11 9.551 3.107 1.386 10 H LEU 12 H LEU 12 3.448 2.682 -0.079 11 HA LEU 12 HA LEU 12 1.593 1.243 -1.832 12 HB2 LEU 12 HB2 LEU 12 1.064 4.095 -1.089 13 HB3 LEU 12 HB3 LEU 12 -0.023 2.925 -1.834 14 HG LEU 12 HG LEU 12 0.918 2.765 1.026 15 HD11 LEU 12 HD11 LEU 12 -1.711 3.796 -0.025 16 HD12 LEU 12 HD12 LEU 12 -0.411 4.803 0.609 17 HD13 LEU 12 HD13 LEU 12 -1.229 3.653 1.665 18 HD21 LEU 12 HD21 LEU 12 -0.342 0.906 -0.670 19 HD22 LEU 12 HD22 LEU 12 -1.576 1.488 0.448 20 HD23 LEU 12 HD23 LEU 12 -0.082 0.786 1.070 21 H ASP 13 H ASP 13 2.505 1.248 -3.769 22 HA ASP 13 HA ASP 13 4.152 3.540 -4.572 23 HB2 ASP 13 HB2 ASP 13 3.982 0.980 -6.126 24 HB3 ASP 13 HB3 ASP 13 5.316 2.125 -6.013 25 H VAL 14 H VAL 14 1.867 4.549 -4.763 26 HA VAL 14 HA VAL 14 0.404 3.834 -7.148 27 HB VAL 14 HB VAL 14 -0.981 5.841 -6.599 28 HG11 VAL 14 HG11 VAL 14 -1.927 4.883 -4.504 29 HG12 VAL 14 HG12 VAL 14 -1.673 3.694 -5.783 30 HG13 VAL 14 HG13 VAL 14 -0.544 3.792 -4.431 31 HG21 VAL 14 HG21 VAL 14 -0.506 7.279 -4.908 32 HG22 VAL 14 HG22 VAL 14 0.304 6.048 -3.938 33 HG23 VAL 14 HG23 VAL 14 1.146 6.795 -5.296 34 H GLY 15 H GLY 15 2.782 4.263 -8.135 35 HA2 GLY 15 HA2 GLY 15 2.617 6.960 -9.330 36 HA3 GLY 15 HA3 GLY 15 4.156 6.255 -8.857 37 H LYS 16 H LYS 16 3.126 7.165 -11.493 38 HA LYS 16 HA LYS 16 3.174 4.636 -12.984 39 HB2 LYS 16 HB2 LYS 16 1.741 7.083 -13.312 40 HB3 LYS 16 HB3 LYS 16 2.782 6.863 -14.712 41 HG2 LYS 16 HG2 LYS 16 0.671 5.886 -15.203 42 HG3 LYS 16 HG3 LYS 16 1.831 4.575 -14.973 43 HD2 LYS 16 HD2 LYS 16 0.905 3.932 -12.959 44 HD3 LYS 16 HD3 LYS 16 0.206 5.524 -12.653 45 HE2 LYS 16 HE2 LYS 16 -1.723 4.891 -13.555 46 HE3 LYS 16 HE3 LYS 16 -0.911 4.439 -15.053 47 HZ1 LYS 16 HZ1 LYS 16 -2.169 2.725 -13.399 48 HZ2 LYS 16 HZ2 LYS 16 -0.560 2.544 -12.912 49 HZ3 LYS 16 HZ3 LYS 16 -0.989 2.284 -14.528 50 H HIS 17 H HIS 17 4.754 4.164 -14.445 51 HA HIS 17 HA HIS 17 7.167 5.789 -14.296 52 HB2 HIS 17 HB2 HIS 17 6.851 3.160 -15.741 53 HB3 HIS 17 HB3 HIS 17 8.336 3.903 -15.154 54 HD1 HIS 17 HD1 HIS 17 5.173 2.310 -13.799 55 HD2 HIS 17 HD2 HIS 17 9.086 3.115 -12.656 56 HE1 HIS 17 HE1 HIS 17 5.478 1.157 -11.585 57 H CYS 18 H CYS 18 8.076 6.865 -15.978 58 HA CYS 18 HA CYS 18 6.532 7.856 -18.037 59 HB2 CYS 18 HB2 CYS 18 8.787 8.700 -17.195 60 HB3 CYS 18 HB3 CYS 18 9.520 7.499 -18.253 61 H ALA 19 H ALA 19 6.381 7.437 -20.257 62 HA ALA 19 HA ALA 19 6.847 4.630 -20.961 63 HB1 ALA 19 HB1 ALA 19 5.388 5.888 -23.003 64 HB2 ALA 19 HB2 ALA 19 4.790 4.763 -21.783 65 HB3 ALA 19 HB3 ALA 19 4.738 6.500 -21.482 66 H TYR 20 H TYR 20 8.763 7.062 -21.048 67 HA TYR 20 HA TYR 20 9.753 6.503 -23.760 68 HB2 TYR 20 HB2 TYR 20 8.649 8.797 -23.488 69 HB3 TYR 20 HB3 TYR 20 10.017 9.211 -22.461 70 HD1 TYR 20 HD1 TYR 20 11.856 10.210 -23.439 71 HD2 TYR 20 HD2 TYR 20 9.314 7.793 -25.847 72 HE1 TYR 20 HE1 TYR 20 13.169 10.820 -25.427 73 HE2 TYR 20 HE2 TYR 20 10.621 8.395 -27.842 74 HH TYR 20 HH TYR 20 12.228 9.724 -28.659 75 H CYS 21 H CYS 21 10.503 7.561 -20.476 76 HA CYS 21 HA CYS 21 13.283 6.674 -20.896 77 HB2 CYS 21 HB2 CYS 21 14.045 8.303 -19.382 78 HB3 CYS 21 HB3 CYS 21 12.833 9.144 -20.343 79 H ARG 22 H ARG 22 10.377 6.089 -19.263 80 HA ARG 22 HA ARG 22 9.751 4.576 -17.684 81 HB2 ARG 22 HB2 ARG 22 12.535 3.454 -18.041 82 HB3 ARG 22 HB3 ARG 22 11.161 2.627 -17.319 83 HG2 ARG 22 HG2 ARG 22 10.760 3.632 -20.058 84 HG3 ARG 22 HG3 ARG 22 11.922 2.317 -19.873 85 HD2 ARG 22 HD2 ARG 22 9.544 1.823 -18.318 86 HD3 ARG 22 HD3 ARG 22 9.140 2.116 -20.009 87 HE ARG 22 HE ARG 22 11.176 0.352 -20.170 88 HH11 ARG 22 HH11 ARG 22 8.193 0.383 -18.377 89 HH12 ARG 22 HH12 ARG 22 8.022 -1.341 -18.378 90 HH21 ARG 22 HH21 ARG 22 10.963 -1.919 -20.178 91 HH22 ARG 22 HH22 ARG 22 9.599 -2.650 -19.402 92 H GLN 23 H GLN 23 9.999 6.685 -16.395 93 HA GLN 23 HA GLN 23 11.907 6.232 -14.196 94 HB2 GLN 23 HB2 GLN 23 12.548 8.243 -15.308 95 HB3 GLN 23 HB3 GLN 23 10.886 8.814 -15.372 96 HG2 GLN 23 HG2 GLN 23 10.845 9.286 -13.073 97 HG3 GLN 23 HG3 GLN 23 12.314 8.358 -12.775 98 HE21 GLN 23 HE21 GLN 23 14.286 9.185 -13.884 99 HE22 GLN 23 HE22 GLN 23 14.497 10.898 -13.962 100 H LEU 24 H LEU 24 10.956 5.618 -12.380 101 HA LEU 24 HA LEU 24 8.163 5.655 -11.986 102 HB2 LEU 24 HB2 LEU 24 9.503 3.994 -10.907 103 HB3 LEU 24 HB3 LEU 24 10.453 5.226 -10.079 104 HG LEU 24 HG LEU 24 8.454 5.834 -8.760 105 HD11 LEU 24 HD11 LEU 24 6.420 5.129 -9.290 106 HD12 LEU 24 HD12 LEU 24 6.938 3.445 -9.235 107 HD13 LEU 24 HD13 LEU 24 7.103 4.368 -10.728 108 HD21 LEU 24 HD21 LEU 24 10.181 3.806 -8.343 109 HD22 LEU 24 HD22 LEU 24 8.650 2.930 -8.307 110 HD23 LEU 24 HD23 LEU 24 8.923 4.277 -7.200 111 H ASP 25 H ASP 25 7.055 7.495 -11.798 112 HA ASP 25 HA ASP 25 8.099 9.562 -9.974 113 HB2 ASP 25 HB2 ASP 25 7.317 9.789 -12.682 114 HB3 ASP 25 HB3 ASP 25 6.071 10.591 -11.730 115 H PHE 26 H PHE 26 6.520 10.757 -8.744 116 HA PHE 26 HA PHE 26 4.387 9.036 -7.806 117 HB2 PHE 26 HB2 PHE 26 5.096 11.796 -6.806 118 HB3 PHE 26 HB3 PHE 26 4.190 10.547 -5.957 119 HD1 PHE 26 HD1 PHE 26 7.525 11.557 -7.137 120 HD2 PHE 26 HD2 PHE 26 5.293 8.804 -4.779 121 HE1 PHE 26 HE1 PHE 26 9.611 10.745 -6.117 122 HE2 PHE 26 HE2 PHE 26 7.376 7.988 -3.755 123 HZ PHE 26 HZ PHE 26 9.539 8.959 -4.422 124 H LEU 27 H LEU 27 4.745 12.163 -9.398 125 HA LEU 27 HA LEU 27 1.823 12.276 -9.739 126 HB2 LEU 27 HB2 LEU 27 3.841 14.274 -9.151 127 HB3 LEU 27 HB3 LEU 27 2.862 14.718 -10.547 128 HG LEU 27 HG LEU 27 1.613 13.916 -7.935 129 HD11 LEU 27 HD11 LEU 27 1.724 16.774 -8.480 130 HD12 LEU 27 HD12 LEU 27 3.306 16.064 -8.162 131 HD13 LEU 27 HD13 LEU 27 2.008 15.892 -6.980 132 HD21 LEU 27 HD21 LEU 27 -0.338 14.640 -8.831 133 HD22 LEU 27 HD22 LEU 27 0.479 14.213 -10.335 134 HD23 LEU 27 HD23 LEU 27 0.440 15.893 -9.798 135 HA PRO 28 HA PRO 28 3.402 11.170 -13.917 136 HB2 PRO 28 HB2 PRO 28 1.245 9.651 -14.558 137 HB3 PRO 28 HB3 PRO 28 2.625 9.025 -13.648 138 HG2 PRO 28 HG2 PRO 28 -0.032 9.972 -12.645 139 HG3 PRO 28 HG3 PRO 28 0.907 8.549 -12.156 140 HD2 PRO 28 HD2 PRO 28 0.871 10.838 -10.710 141 HD3 PRO 28 HD3 PRO 28 2.293 9.779 -10.785 142 H PHE 29 H PHE 29 3.063 12.491 -15.585 143 HA PHE 29 HA PHE 29 0.710 14.192 -15.613 144 HB2 PHE 29 HB2 PHE 29 3.334 14.180 -17.056 145 HB3 PHE 29 HB3 PHE 29 1.988 15.100 -17.720 146 HD1 PHE 29 HD1 PHE 29 1.281 17.139 -16.734 147 HD2 PHE 29 HD2 PHE 29 4.247 14.749 -14.836 148 HE1 PHE 29 HE1 PHE 29 1.802 19.001 -15.213 149 HE2 PHE 29 HE2 PHE 29 4.773 16.607 -13.311 150 HZ PHE 29 HZ PHE 29 3.551 18.736 -13.499 151 H HIS 30 H HIS 30 -1.078 13.463 -16.547 152 HA HIS 30 HA HIS 30 -0.973 11.449 -18.622 153 HB2 HIS 30 HB2 HIS 30 -2.691 11.275 -16.901 154 HB3 HIS 30 HB3 HIS 30 -3.316 12.864 -17.333 155 HD1 HIS 30 HD1 HIS 30 -3.703 9.328 -18.074 156 HD2 HIS 30 HD2 HIS 30 -4.476 12.913 -20.026 157 HE1 HIS 30 HE1 HIS 30 -5.304 8.753 -19.926 158 H CYS 31 H CYS 31 -0.983 11.833 -20.733 159 HA CYS 31 HA CYS 31 -1.274 14.555 -21.688 160 HB2 CYS 31 HB2 CYS 31 0.467 12.743 -22.441 161 HB3 CYS 31 HB3 CYS 31 -0.838 12.200 -23.491 162 H SER 32 H SER 32 -2.986 15.373 -22.727 163 HA SER 32 HA SER 32 -5.336 13.674 -23.030 164 HB2 SER 32 HB2 SER 32 -4.841 16.543 -22.634 165 HB3 SER 32 HB3 SER 32 -6.128 16.192 -23.788 166 HG SER 32 HG SER 32 -5.969 15.604 -21.053 167 H PHE 33 H PHE 33 -2.892 13.792 -24.874 168 HA PHE 33 HA PHE 33 -4.367 14.291 -27.376 169 HB2 PHE 33 HB2 PHE 33 -1.604 14.928 -26.545 170 HB3 PHE 33 HB3 PHE 33 -1.773 14.280 -28.174 171 HD1 PHE 33 HD1 PHE 33 -4.333 16.334 -26.515 172 HD2 PHE 33 HD2 PHE 33 -1.141 16.260 -29.330 173 HE1 PHE 33 HE1 PHE 33 -5.001 18.559 -27.327 174 HE2 PHE 33 HE2 PHE 33 -1.804 18.484 -30.146 175 HZ PHE 33 HZ PHE 33 -3.735 19.637 -29.144 176 H CYS 34 H CYS 34 -1.885 12.245 -25.869 177 HA CYS 34 HA CYS 34 -2.498 10.152 -27.845 178 HB2 CYS 34 HB2 CYS 34 -0.329 9.167 -27.244 179 HB3 CYS 34 HB3 CYS 34 -0.146 10.831 -27.789 180 H ASN 35 H ASN 35 -2.833 11.033 -24.574 181 HA ASN 35 HA ASN 35 -3.829 10.001 -22.806 182 HB2 ASN 35 HB2 ASN 35 -5.213 9.027 -24.850 183 HB3 ASN 35 HB3 ASN 35 -4.413 7.531 -24.377 184 HD21 ASN 35 HD21 ASN 35 -6.545 10.094 -23.309 185 HD22 ASN 35 HD22 ASN 35 -7.288 9.201 -22.030 186 H GLU 36 H GLU 36 -1.295 9.907 -22.516 187 HA GLU 36 HA GLU 36 -0.735 7.213 -21.539 188 HB2 GLU 36 HB2 GLU 36 0.984 8.740 -23.481 189 HB3 GLU 36 HB3 GLU 36 1.663 7.512 -22.421 190 HG2 GLU 36 HG2 GLU 36 -0.527 6.267 -23.559 191 HG3 GLU 36 HG3 GLU 36 0.156 7.221 -24.874 192 H ASP 37 H ASP 37 1.085 7.162 -20.014 193 HA ASP 37 HA ASP 37 1.160 9.639 -18.454 194 HB2 ASP 37 HB2 ASP 37 2.124 8.117 -16.668 195 HB3 ASP 37 HB3 ASP 37 0.463 7.779 -17.145 196 H PHE 38 H PHE 38 3.038 10.669 -17.894 197 HA PHE 38 HA PHE 38 5.602 9.544 -18.650 198 HB2 PHE 38 HB2 PHE 38 4.654 12.163 -19.833 199 HB3 PHE 38 HB3 PHE 38 6.248 11.446 -20.046 200 HD1 PHE 38 HD1 PHE 38 6.377 9.173 -21.197 201 HD2 PHE 38 HD2 PHE 38 2.923 11.657 -21.297 202 HE1 PHE 38 HE1 PHE 38 5.570 7.964 -23.182 203 HE2 PHE 38 HE2 PHE 38 2.109 10.451 -23.281 204 HZ PHE 38 HZ PHE 38 3.432 8.602 -24.226 205 H CYS 39 H CYS 39 7.220 10.232 -17.358 206 HA CYS 39 HA CYS 39 6.740 11.452 -14.939 207 HB2 CYS 39 HB2 CYS 39 9.083 11.542 -14.624 208 HB3 CYS 39 HB3 CYS 39 8.809 10.159 -15.680 209 H SER 40 H SER 40 7.453 13.530 -14.092 210 HA SER 40 HA SER 40 6.347 15.700 -15.410 211 HB2 SER 40 HB2 SER 40 8.538 16.477 -13.642 212 HB3 SER 40 HB3 SER 40 6.808 16.788 -13.493 213 HG SER 40 HG SER 40 6.698 15.224 -12.107 214 H ASN 41 H ASN 41 9.630 14.461 -15.502 215 HA ASN 41 HA ASN 41 10.857 16.655 -16.763 216 HB2 ASN 41 HB2 ASN 41 11.697 14.206 -15.807 217 HB3 ASN 41 HB3 ASN 41 11.927 14.045 -17.546 218 HD21 ASN 41 HD21 ASN 41 12.303 16.711 -15.233 219 HD22 ASN 41 HD22 ASN 41 13.929 17.091 -15.678 220 H HIS 42 H HIS 42 8.835 14.107 -17.968 221 HA HIS 42 HA HIS 42 9.226 15.126 -20.706 222 HB2 HIS 42 HB2 HIS 42 8.637 12.321 -19.759 223 HB3 HIS 42 HB3 HIS 42 8.432 12.826 -21.434 224 HD2 HIS 42 HD2 HIS 42 11.081 14.105 -22.333 225 HE1 HIS 42 HE1 HIS 42 13.163 11.080 -20.209 226 HE2 HIS 42 HE2 HIS 42 13.325 12.869 -21.976 227 H ARG 43 H ARG 43 7.321 15.851 -18.468 228 HA ARG 43 HA ARG 43 4.737 14.954 -19.018 229 HB2 ARG 43 HB2 ARG 43 3.967 16.982 -17.875 230 HB3 ARG 43 HB3 ARG 43 5.297 16.225 -17.008 231 HG2 ARG 43 HG2 ARG 43 6.786 17.894 -18.293 232 HG3 ARG 43 HG3 ARG 43 5.278 18.763 -18.586 233 HD2 ARG 43 HD2 ARG 43 4.906 19.088 -16.274 234 HD3 ARG 43 HD3 ARG 43 6.153 17.920 -15.836 235 HE ARG 43 HE ARG 43 7.538 19.800 -17.187 236 HH11 ARG 43 HH11 ARG 43 5.277 19.957 -14.544 237 HH12 ARG 43 HH12 ARG 43 5.998 21.367 -13.841 238 HH21 ARG 43 HH21 ARG 43 8.496 21.657 -16.270 239 HH22 ARG 43 HH22 ARG 43 7.827 22.334 -14.824 240 H LEU 44 H LEU 44 6.604 17.592 -20.441 241 HA LEU 44 HA LEU 44 4.643 18.865 -21.914 242 HB2 LEU 44 HB2 LEU 44 7.426 18.336 -22.926 243 HB3 LEU 44 HB3 LEU 44 6.377 19.697 -23.316 244 HG LEU 44 HG LEU 44 7.714 19.175 -20.662 245 HD11 LEU 44 HD11 LEU 44 8.260 21.074 -22.921 246 HD12 LEU 44 HD12 LEU 44 9.364 19.948 -22.133 247 HD13 LEU 44 HD13 LEU 44 8.816 21.390 -21.278 248 HD21 LEU 44 HD21 LEU 44 5.640 21.126 -21.544 249 HD22 LEU 44 HD22 LEU 44 6.855 21.636 -20.372 250 HD23 LEU 44 HD23 LEU 44 5.802 20.266 -20.012 251 H LYS 45 H LYS 45 4.449 18.804 -24.358 252 HA LYS 45 HA LYS 45 3.580 16.186 -25.125 253 HB2 LYS 45 HB2 LYS 45 3.212 18.897 -26.041 254 HB3 LYS 45 HB3 LYS 45 3.585 17.843 -27.398 255 HG2 LYS 45 HG2 LYS 45 1.712 16.440 -25.883 256 HG3 LYS 45 HG3 LYS 45 1.144 18.111 -25.900 257 HD2 LYS 45 HD2 LYS 45 2.013 16.683 -28.401 258 HD3 LYS 45 HD3 LYS 45 0.356 16.601 -27.796 259 HE2 LYS 45 HE2 LYS 45 1.864 19.104 -28.549 260 HE3 LYS 45 HE3 LYS 45 0.576 18.343 -29.482 261 HZ1 LYS 45 HZ1 LYS 45 0.411 19.964 -27.068 262 HZ2 LYS 45 HZ2 LYS 45 -0.669 18.667 -27.176 263 HZ3 LYS 45 HZ3 LYS 45 -0.656 19.859 -28.377 264 H GLU 46 H GLU 46 5.868 18.444 -26.681 265 HA GLU 46 HA GLU 46 6.957 16.646 -28.490 266 HB2 GLU 46 HB2 GLU 46 7.490 19.297 -27.629 267 HB3 GLU 46 HB3 GLU 46 9.015 18.423 -27.600 268 HG2 GLU 46 HG2 GLU 46 7.877 17.676 -30.002 269 HG3 GLU 46 HG3 GLU 46 7.467 19.384 -29.849 270 H ASP 47 H ASP 47 7.541 17.007 -25.091 271 HA ASP 47 HA ASP 47 10.029 15.889 -24.745 272 HB2 ASP 47 HB2 ASP 47 7.546 15.977 -23.117 273 HB3 ASP 47 HB3 ASP 47 8.779 14.819 -22.625 274 H HIS 48 H HIS 48 6.931 14.131 -24.881 275 HA HIS 48 HA HIS 48 8.403 11.626 -25.234 276 HB2 HIS 48 HB2 HIS 48 6.238 10.527 -24.842 277 HB3 HIS 48 HB3 HIS 48 6.643 11.635 -23.534 278 HD1 HIS 48 HD1 HIS 48 5.177 13.745 -23.270 279 HD2 HIS 48 HD2 HIS 48 3.999 11.238 -26.367 280 HE1 HIS 48 HE1 HIS 48 2.890 14.543 -23.948 281 H HIS 49 H HIS 49 7.919 13.830 -27.289 282 HA HIS 49 HA HIS 49 7.316 14.055 -29.484 283 HB2 HIS 49 HB2 HIS 49 8.292 11.210 -29.309 284 HB3 HIS 49 HB3 HIS 49 7.837 11.943 -30.845 285 HD1 HIS 49 HD1 HIS 49 9.707 13.005 -32.053 286 HD2 HIS 49 HD2 HIS 49 10.392 12.885 -27.957 287 HE1 HIS 49 HE1 HIS 49 12.013 13.955 -31.729 288 H CYS 50 H CYS 50 5.038 14.132 -28.383 289 HA CYS 50 HA CYS 50 3.195 12.093 -28.530 290 HB2 CYS 50 HB2 CYS 50 2.987 14.585 -27.721 291 HB3 CYS 50 HB3 CYS 50 2.376 14.854 -29.351 292 H ARG 51 H ARG 51 2.029 11.111 -30.090 293 HA ARG 51 HA ARG 51 2.897 11.015 -32.710 294 HB2 ARG 51 HB2 ARG 51 0.580 10.039 -33.182 295 HB3 ARG 51 HB3 ARG 51 1.563 9.225 -31.972 296 HG2 ARG 51 HG2 ARG 51 0.301 10.195 -30.192 297 HG3 ARG 51 HG3 ARG 51 -0.575 11.237 -31.315 298 HD2 ARG 51 HD2 ARG 51 -1.231 8.945 -32.420 299 HD3 ARG 51 HD3 ARG 51 -0.853 8.310 -30.819 300 HE ARG 51 HE ARG 51 -2.779 9.258 -30.031 301 HH11 ARG 51 HH11 ARG 51 -1.988 10.684 -33.107 302 HH12 ARG 51 HH12 ARG 51 -3.474 11.566 -33.228 303 HH21 ARG 51 HH21 ARG 51 -4.741 10.413 -30.179 304 HH22 ARG 51 HH22 ARG 51 -5.039 11.411 -31.562 305 H TRP 52 H TRP 52 0.316 12.982 -31.304 306 HA TRP 52 HA TRP 52 -0.744 14.046 -33.649 307 HB2 TRP 52 HB2 TRP 52 -1.634 14.286 -31.277 308 HB3 TRP 52 HB3 TRP 52 -0.463 15.585 -31.068 309 HD1 TRP 52 HD1 TRP 52 -3.818 14.814 -32.635 310 HE1 TRP 52 HE1 TRP 52 -4.822 16.979 -33.600 311 HE3 TRP 52 HE3 TRP 52 0.251 17.873 -32.170 312 HZ2 TRP 52 HZ2 TRP 52 -3.998 19.632 -34.097 313 HZ3 TRP 52 HZ3 TRP 52 0.060 20.210 -32.914 314 HH2 TRP 52 HH2 TRP 52 -2.021 21.070 -33.858 315 H LEU 53 H LEU 53 2.045 15.060 -31.741 316 HA LEU 53 HA LEU 53 2.551 17.477 -33.097 317 HB2 LEU 53 HB2 LEU 53 3.868 15.808 -31.135 318 HB3 LEU 53 HB3 LEU 53 5.023 16.499 -32.273 319 HG LEU 53 HG LEU 53 3.066 18.069 -30.594 320 HD11 LEU 53 HD11 LEU 53 5.356 18.862 -29.630 321 HD12 LEU 53 HD12 LEU 53 5.926 17.304 -30.228 322 HD13 LEU 53 HD13 LEU 53 4.617 17.369 -29.048 323 HD21 LEU 53 HD21 LEU 53 4.955 18.779 -32.768 324 HD22 LEU 53 HD22 LEU 53 4.845 19.874 -31.390 325 HD23 LEU 53 HD23 LEU 53 3.403 19.496 -32.333 326 H LEU 54 H LEU 54 3.500 14.154 -33.734 327 HA LEU 54 HA LEU 54 5.366 14.773 -35.795 328 HB2 LEU 54 HB2 LEU 54 3.899 12.173 -35.632 329 HB3 LEU 54 HB3 LEU 54 5.561 12.484 -36.128 330 HG LEU 54 HG LEU 54 4.484 12.532 -33.310 331 HD11 LEU 54 HD11 LEU 54 6.255 10.680 -33.123 332 HD12 LEU 54 HD12 LEU 54 6.152 10.601 -34.881 333 HD13 LEU 54 HD13 LEU 54 4.719 10.293 -33.900 334 HD21 LEU 54 HD21 LEU 54 6.207 14.246 -33.664 335 HD22 LEU 54 HD22 LEU 54 7.294 13.010 -34.299 336 HD23 LEU 54 HD23 LEU 54 6.773 12.946 -32.615 337 H GLU 55 H GLU 55 2.058 13.442 -35.890 338 HA GLU 55 HA GLU 55 1.787 13.514 -38.682 339 HB2 GLU 55 HB2 GLU 55 -0.605 13.263 -38.293 340 HB3 GLU 55 HB3 GLU 55 0.305 12.215 -37.213 341 HG2 GLU 55 HG2 GLU 55 0.063 14.080 -35.488 342 HG3 GLU 55 HG3 GLU 55 -1.163 14.744 -36.566 343 H HIS 56 H HIS 56 1.131 15.922 -36.201 344 HA HIS 56 HA HIS 56 0.551 17.871 -38.335 345 HB2 HIS 56 HB2 HIS 56 -0.785 17.334 -35.767 346 HB3 HIS 56 HB3 HIS 56 -0.472 19.037 -36.087 347 HD1 HIS 56 HD1 HIS 56 -2.121 20.199 -37.538 348 HD2 HIS 56 HD2 HIS 56 -2.328 16.068 -37.931 349 HE1 HIS 56 HE1 HIS 56 -4.104 19.763 -39.023 350 H GLU 57 H GLU 57 2.781 18.365 -38.539 351 HA GLU 57 HA GLU 57 4.236 19.361 -36.252 352 HB2 GLU 57 HB2 GLU 57 4.841 18.669 -39.040 353 HB3 GLU 57 HB3 GLU 57 5.728 20.064 -38.441 354 HG2 GLU 57 HG2 GLU 57 6.014 18.302 -36.385 355 HG3 GLU 57 HG3 GLU 57 6.007 17.231 -37.785 356 H GLU 58 H GLU 58 3.020 21.145 -35.573 357 HA GLU 58 HA GLU 58 2.085 23.230 -37.151 358 HB2 GLU 58 HB2 GLU 58 2.079 24.578 -35.104 359 HB3 GLU 58 HB3 GLU 58 1.458 22.961 -34.806 360 HG2 GLU 58 HG2 GLU 58 4.010 22.536 -34.179 361 HG3 GLU 58 HG3 GLU 58 3.923 24.261 -33.824 362 H VAL 59 H VAL 59 2.967 25.575 -36.844 363 HA VAL 59 HA VAL 59 5.790 25.523 -37.671 364 HB VAL 59 HB VAL 59 3.736 27.678 -38.185 365 HG11 VAL 59 HG11 VAL 59 5.823 28.717 -38.259 366 HG12 VAL 59 HG12 VAL 59 6.602 27.312 -38.988 367 HG13 VAL 59 HG13 VAL 59 5.501 28.306 -39.943 368 HG21 VAL 59 HG21 VAL 59 2.935 26.256 -39.713 369 HG22 VAL 59 HG22 VAL 59 4.415 26.587 -40.613 370 HG23 VAL 59 HG23 VAL 59 4.319 25.174 -39.562 Start of MODEL 10 1 H MET 11 H MET 11 3.960 -2.669 1.160 2 HA MET 11 HA MET 11 4.223 -1.979 -1.046 3 HB2 MET 11 HB2 MET 11 1.947 -2.182 -2.192 4 HB3 MET 11 HB3 MET 11 2.507 -3.573 -1.273 5 HG2 MET 11 HG2 MET 11 1.089 -2.909 0.600 6 HG3 MET 11 HG3 MET 11 0.529 -1.514 -0.321 7 HE1 MET 11 HE1 MET 11 -0.978 -5.707 -0.307 8 HE2 MET 11 HE2 MET 11 0.291 -4.950 0.656 9 HE3 MET 11 HE3 MET 11 -1.387 -4.442 0.852 10 H LEU 12 H LEU 12 4.157 -0.304 -2.521 11 HA LEU 12 HA LEU 12 2.551 2.051 -1.846 12 HB2 LEU 12 HB2 LEU 12 5.417 2.377 -2.639 13 HB3 LEU 12 HB3 LEU 12 4.343 3.535 -1.858 14 HG LEU 12 HG LEU 12 5.407 1.063 -0.501 15 HD11 LEU 12 HD11 LEU 12 6.457 3.887 -0.475 16 HD12 LEU 12 HD12 LEU 12 7.290 2.444 -1.053 17 HD13 LEU 12 HD13 LEU 12 6.937 2.629 0.665 18 HD21 LEU 12 HD21 LEU 12 4.240 1.689 1.303 19 HD22 LEU 12 HD22 LEU 12 3.288 2.651 0.172 20 HD23 LEU 12 HD23 LEU 12 4.611 3.397 1.069 21 H ASP 13 H ASP 13 1.356 2.421 -3.587 22 HA ASP 13 HA ASP 13 2.665 2.549 -6.197 23 HB2 ASP 13 HB2 ASP 13 0.141 0.968 -5.661 24 HB3 ASP 13 HB3 ASP 13 0.802 1.307 -7.259 25 H VAL 14 H VAL 14 2.356 4.841 -5.417 26 HA VAL 14 HA VAL 14 -0.334 5.796 -6.160 27 HB VAL 14 HB VAL 14 0.358 6.156 -3.742 28 HG11 VAL 14 HG11 VAL 14 2.730 6.915 -4.697 29 HG12 VAL 14 HG12 VAL 14 1.953 8.497 -4.607 30 HG13 VAL 14 HG13 VAL 14 2.093 7.498 -3.159 31 HG21 VAL 14 HG21 VAL 14 -1.009 7.813 -5.564 32 HG22 VAL 14 HG22 VAL 14 -1.207 7.732 -3.814 33 HG23 VAL 14 HG23 VAL 14 -0.066 8.876 -4.520 34 H GLY 15 H GLY 15 2.081 5.308 -7.833 35 HA2 GLY 15 HA2 GLY 15 2.121 7.948 -9.097 36 HA3 GLY 15 HA3 GLY 15 3.667 7.245 -8.645 37 H LYS 16 H LYS 16 2.787 7.942 -11.292 38 HA LYS 16 HA LYS 16 2.553 5.291 -12.547 39 HB2 LYS 16 HB2 LYS 16 1.253 7.774 -13.057 40 HB3 LYS 16 HB3 LYS 16 2.252 7.392 -14.453 41 HG2 LYS 16 HG2 LYS 16 0.152 6.454 -14.904 42 HG3 LYS 16 HG3 LYS 16 1.176 5.099 -14.423 43 HD2 LYS 16 HD2 LYS 16 -0.112 4.638 -12.657 44 HD3 LYS 16 HD3 LYS 16 -0.157 6.330 -12.155 45 HE2 LYS 16 HE2 LYS 16 -1.767 5.490 -14.516 46 HE3 LYS 16 HE3 LYS 16 -2.343 5.064 -12.905 47 HZ1 LYS 16 HZ1 LYS 16 -1.687 7.814 -13.816 48 HZ2 LYS 16 HZ2 LYS 16 -2.292 7.389 -12.295 49 HZ3 LYS 16 HZ3 LYS 16 -3.249 7.179 -13.675 50 H HIS 17 H HIS 17 4.162 4.515 -13.774 51 HA HIS 17 HA HIS 17 6.642 5.994 -13.889 52 HB2 HIS 17 HB2 HIS 17 6.099 3.296 -15.124 53 HB3 HIS 17 HB3 HIS 17 7.648 3.966 -14.621 54 HD1 HIS 17 HD1 HIS 17 4.405 2.730 -13.094 55 HD2 HIS 17 HD2 HIS 17 8.393 3.311 -12.084 56 HE1 HIS 17 HE1 HIS 17 4.672 1.728 -10.802 57 H CYS 18 H CYS 18 7.600 6.863 -15.663 58 HA CYS 18 HA CYS 18 6.097 7.816 -17.769 59 HB2 CYS 18 HB2 CYS 18 8.424 8.544 -17.029 60 HB3 CYS 18 HB3 CYS 18 9.043 7.209 -17.995 61 H ALA 19 H ALA 19 5.841 7.237 -19.936 62 HA ALA 19 HA ALA 19 6.088 4.361 -20.435 63 HB1 ALA 19 HB1 ALA 19 4.039 4.569 -21.254 64 HB2 ALA 19 HB2 ALA 19 4.096 6.317 -21.027 65 HB3 ALA 19 HB3 ALA 19 4.674 5.604 -22.533 66 H TYR 20 H TYR 20 8.180 6.619 -20.742 67 HA TYR 20 HA TYR 20 9.051 5.795 -23.428 68 HB2 TYR 20 HB2 TYR 20 8.141 8.175 -23.319 69 HB3 TYR 20 HB3 TYR 20 9.539 8.559 -22.321 70 HD1 TYR 20 HD1 TYR 20 11.594 9.088 -23.311 71 HD2 TYR 20 HD2 TYR 20 8.568 7.231 -25.656 72 HE1 TYR 20 HE1 TYR 20 12.941 9.463 -25.335 73 HE2 TYR 20 HE2 TYR 20 9.907 7.599 -27.686 74 HH TYR 20 HH TYR 20 13.032 9.281 -27.545 75 H CYS 21 H CYS 21 9.970 7.014 -20.244 76 HA CYS 21 HA CYS 21 12.660 5.883 -20.659 77 HB2 CYS 21 HB2 CYS 21 13.585 7.544 -19.277 78 HB3 CYS 21 HB3 CYS 21 12.419 8.411 -20.271 79 H ARG 22 H ARG 22 9.764 5.666 -18.909 80 HA ARG 22 HA ARG 22 9.063 4.309 -17.223 81 HB2 ARG 22 HB2 ARG 22 11.742 2.940 -17.503 82 HB3 ARG 22 HB3 ARG 22 10.286 2.274 -16.777 83 HG2 ARG 22 HG2 ARG 22 9.789 3.132 -19.483 84 HG3 ARG 22 HG3 ARG 22 11.135 1.993 -19.408 85 HD2 ARG 22 HD2 ARG 22 8.884 1.215 -17.730 86 HD3 ARG 22 HD3 ARG 22 8.457 1.346 -19.436 87 HE ARG 22 HE ARG 22 10.044 -0.681 -18.227 88 HH11 ARG 22 HH11 ARG 22 9.653 1.174 -21.147 89 HH12 ARG 22 HH12 ARG 22 10.357 -0.037 -22.166 90 HH21 ARG 22 HH21 ARG 22 10.973 -2.284 -19.558 91 HH22 ARG 22 HH22 ARG 22 11.107 -2.004 -21.261 92 H GLN 23 H GLN 23 9.513 6.481 -16.098 93 HA GLN 23 HA GLN 23 11.432 6.029 -13.907 94 HB2 GLN 23 HB2 GLN 23 12.208 7.896 -15.174 95 HB3 GLN 23 HB3 GLN 23 10.597 8.596 -15.251 96 HG2 GLN 23 HG2 GLN 23 10.679 9.371 -13.090 97 HG3 GLN 23 HG3 GLN 23 11.885 8.183 -12.597 98 HE21 GLN 23 HE21 GLN 23 12.832 10.165 -11.645 99 HE22 GLN 23 HE22 GLN 23 13.896 11.104 -12.630 100 H LEU 24 H LEU 24 10.463 5.601 -12.048 101 HA LEU 24 HA LEU 24 7.698 5.904 -11.602 102 HB2 LEU 24 HB2 LEU 24 9.357 4.317 -10.476 103 HB3 LEU 24 HB3 LEU 24 9.753 5.675 -9.425 104 HG LEU 24 HG LEU 24 6.935 4.674 -9.693 105 HD11 LEU 24 HD11 LEU 24 7.227 3.004 -8.182 106 HD12 LEU 24 HD12 LEU 24 8.609 3.785 -7.414 107 HD13 LEU 24 HD13 LEU 24 8.813 2.949 -8.954 108 HD21 LEU 24 HD21 LEU 24 7.402 5.553 -7.129 109 HD22 LEU 24 HD22 LEU 24 6.634 6.481 -8.417 110 HD23 LEU 24 HD23 LEU 24 8.362 6.660 -8.112 111 H ASP 25 H ASP 25 6.733 7.827 -11.510 112 HA ASP 25 HA ASP 25 7.984 9.931 -9.866 113 HB2 ASP 25 HB2 ASP 25 6.831 10.003 -12.552 114 HB3 ASP 25 HB3 ASP 25 6.160 11.233 -11.484 115 H PHE 26 H PHE 26 6.507 11.365 -8.739 116 HA PHE 26 HA PHE 26 4.271 9.882 -7.632 117 HB2 PHE 26 HB2 PHE 26 5.197 12.642 -6.835 118 HB3 PHE 26 HB3 PHE 26 4.248 11.505 -5.882 119 HD1 PHE 26 HD1 PHE 26 7.595 12.252 -7.208 120 HD2 PHE 26 HD2 PHE 26 5.288 9.763 -4.638 121 HE1 PHE 26 HE1 PHE 26 9.663 11.383 -6.197 122 HE2 PHE 26 HE2 PHE 26 7.352 8.891 -3.623 123 HZ PHE 26 HZ PHE 26 9.544 9.701 -4.402 124 H LEU 27 H LEU 27 4.855 12.824 -9.480 125 HA LEU 27 HA LEU 27 1.945 13.168 -9.772 126 HB2 LEU 27 HB2 LEU 27 2.619 15.492 -10.570 127 HB3 LEU 27 HB3 LEU 27 2.773 15.140 -8.850 128 HG LEU 27 HG LEU 27 5.239 14.602 -10.273 129 HD11 LEU 27 HD11 LEU 27 4.837 16.287 -11.800 130 HD12 LEU 27 HD12 LEU 27 5.665 17.149 -10.504 131 HD13 LEU 27 HD13 LEU 27 3.911 17.253 -10.651 132 HD21 LEU 27 HD21 LEU 27 4.388 16.321 -7.956 133 HD22 LEU 27 HD22 LEU 27 6.055 16.239 -8.524 134 HD23 LEU 27 HD23 LEU 27 5.257 14.787 -7.918 135 HA PRO 28 HA PRO 28 3.360 11.627 -13.876 136 HB2 PRO 28 HB2 PRO 28 1.103 10.196 -14.352 137 HB3 PRO 28 HB3 PRO 28 2.466 9.559 -13.425 138 HG2 PRO 28 HG2 PRO 28 -0.104 10.739 -12.445 139 HG3 PRO 28 HG3 PRO 28 0.761 9.304 -11.865 140 HD2 PRO 28 HD2 PRO 28 0.895 11.696 -10.602 141 HD3 PRO 28 HD3 PRO 28 2.251 10.550 -10.623 142 H PHE 29 H PHE 29 3.059 12.838 -15.632 143 HA PHE 29 HA PHE 29 0.859 14.712 -15.738 144 HB2 PHE 29 HB2 PHE 29 3.390 14.302 -17.267 145 HB3 PHE 29 HB3 PHE 29 2.089 15.208 -18.033 146 HD1 PHE 29 HD1 PHE 29 1.545 17.414 -17.341 147 HD2 PHE 29 HD2 PHE 29 4.416 15.128 -15.185 148 HE1 PHE 29 HE1 PHE 29 2.240 19.438 -16.127 149 HE2 PHE 29 HE2 PHE 29 5.114 17.149 -13.966 150 HZ PHE 29 HZ PHE 29 4.027 19.307 -14.438 151 H HIS 30 H HIS 30 -1.051 14.052 -16.462 152 HA HIS 30 HA HIS 30 -1.258 11.861 -18.349 153 HB2 HIS 30 HB2 HIS 30 -2.832 11.893 -16.513 154 HB3 HIS 30 HB3 HIS 30 -3.357 13.520 -16.940 155 HD1 HIS 30 HD1 HIS 30 -3.755 9.940 -17.912 156 HD2 HIS 30 HD2 HIS 30 -5.136 13.672 -19.107 157 HE1 HIS 30 HE1 HIS 30 -5.668 9.479 -19.478 158 H CYS 31 H CYS 31 -1.296 12.130 -20.472 159 HA CYS 31 HA CYS 31 -1.614 14.783 -21.597 160 HB2 CYS 31 HB2 CYS 31 -0.013 12.718 -22.287 161 HB3 CYS 31 HB3 CYS 31 -1.355 12.442 -23.393 162 H SER 32 H SER 32 -3.387 15.553 -22.556 163 HA SER 32 HA SER 32 -5.739 13.832 -22.687 164 HB2 SER 32 HB2 SER 32 -5.457 16.389 -21.809 165 HB3 SER 32 HB3 SER 32 -5.992 16.671 -23.465 166 HG SER 32 HG SER 32 -7.701 16.443 -21.865 167 H PHE 33 H PHE 33 -3.405 13.887 -24.649 168 HA PHE 33 HA PHE 33 -5.006 14.314 -27.085 169 HB2 PHE 33 HB2 PHE 33 -1.997 14.354 -27.032 170 HB3 PHE 33 HB3 PHE 33 -3.082 14.996 -28.262 171 HD1 PHE 33 HD1 PHE 33 -4.967 16.553 -26.640 172 HD2 PHE 33 HD2 PHE 33 -0.738 16.168 -26.337 173 HE1 PHE 33 HE1 PHE 33 -4.843 18.775 -25.589 174 HE2 PHE 33 HE2 PHE 33 -0.608 18.388 -25.285 175 HZ PHE 33 HZ PHE 33 -2.662 19.694 -24.909 176 H CYS 34 H CYS 34 -2.402 12.363 -25.661 177 HA CYS 34 HA CYS 34 -3.044 10.214 -27.561 178 HB2 CYS 34 HB2 CYS 34 -0.847 9.278 -27.003 179 HB3 CYS 34 HB3 CYS 34 -0.701 10.941 -27.565 180 H ASN 35 H ASN 35 -3.334 11.157 -24.308 181 HA ASN 35 HA ASN 35 -4.266 10.144 -22.494 182 HB2 ASN 35 HB2 ASN 35 -5.680 9.110 -24.490 183 HB3 ASN 35 HB3 ASN 35 -4.852 7.635 -24.000 184 HD21 ASN 35 HD21 ASN 35 -7.251 9.963 -23.210 185 HD22 ASN 35 HD22 ASN 35 -7.856 9.181 -21.793 186 H GLU 36 H GLU 36 -1.723 10.090 -22.265 187 HA GLU 36 HA GLU 36 -1.111 7.449 -21.202 188 HB2 GLU 36 HB2 GLU 36 0.529 8.849 -23.304 189 HB3 GLU 36 HB3 GLU 36 1.231 7.653 -22.223 190 HG2 GLU 36 HG2 GLU 36 -1.024 6.398 -23.189 191 HG3 GLU 36 HG3 GLU 36 -0.415 7.293 -24.581 192 H ASP 37 H ASP 37 0.582 7.453 -19.635 193 HA ASP 37 HA ASP 37 0.899 10.068 -18.357 194 HB2 ASP 37 HB2 ASP 37 1.223 7.244 -17.342 195 HB3 ASP 37 HB3 ASP 37 1.713 8.653 -16.405 196 H PHE 38 H PHE 38 2.869 10.963 -17.884 197 HA PHE 38 HA PHE 38 5.308 9.510 -18.491 198 HB2 PHE 38 HB2 PHE 38 4.662 12.099 -19.915 199 HB3 PHE 38 HB3 PHE 38 6.148 11.167 -20.065 200 HD1 PHE 38 HD1 PHE 38 6.011 8.843 -21.055 201 HD2 PHE 38 HD2 PHE 38 2.819 11.650 -21.274 202 HE1 PHE 38 HE1 PHE 38 5.029 7.575 -22.921 203 HE2 PHE 38 HE2 PHE 38 1.831 10.386 -23.139 204 HZ PHE 38 HZ PHE 38 2.935 8.346 -23.964 205 H CYS 39 H CYS 39 7.007 10.171 -17.279 206 HA CYS 39 HA CYS 39 6.660 11.628 -14.973 207 HB2 CYS 39 HB2 CYS 39 9.010 11.560 -14.686 208 HB3 CYS 39 HB3 CYS 39 8.607 10.114 -15.605 209 H SER 40 H SER 40 7.571 13.703 -14.312 210 HA SER 40 HA SER 40 6.616 15.841 -15.786 211 HB2 SER 40 HB2 SER 40 7.128 15.982 -13.387 212 HB3 SER 40 HB3 SER 40 8.851 15.866 -13.742 213 HG SER 40 HG SER 40 7.352 18.040 -13.673 214 H ASN 41 H ASN 41 9.783 14.328 -15.838 215 HA ASN 41 HA ASN 41 11.153 16.296 -17.306 216 HB2 ASN 41 HB2 ASN 41 11.895 13.990 -16.111 217 HB3 ASN 41 HB3 ASN 41 11.886 13.468 -17.793 218 HD21 ASN 41 HD21 ASN 41 12.980 16.215 -15.831 219 HD22 ASN 41 HD22 ASN 41 14.501 16.397 -16.630 220 H HIS 42 H HIS 42 8.911 13.818 -18.254 221 HA HIS 42 HA HIS 42 9.305 14.578 -21.075 222 HB2 HIS 42 HB2 HIS 42 8.505 11.926 -19.878 223 HB3 HIS 42 HB3 HIS 42 8.291 12.304 -21.584 224 HD2 HIS 42 HD2 HIS 42 10.975 13.193 -22.717 225 HE1 HIS 42 HE1 HIS 42 12.918 10.313 -20.282 226 HE2 HIS 42 HE2 HIS 42 13.134 11.838 -22.276 227 H ARG 43 H ARG 43 7.531 15.653 -18.871 228 HA ARG 43 HA ARG 43 4.865 14.948 -19.288 229 HB2 ARG 43 HB2 ARG 43 4.305 17.125 -18.314 230 HB3 ARG 43 HB3 ARG 43 5.593 16.338 -17.412 231 HG2 ARG 43 HG2 ARG 43 7.178 17.751 -18.872 232 HG3 ARG 43 HG3 ARG 43 5.741 18.714 -19.219 233 HD2 ARG 43 HD2 ARG 43 5.533 19.435 -17.038 234 HD3 ARG 43 HD3 ARG 43 6.417 18.054 -16.389 235 HE ARG 43 HE ARG 43 8.153 19.595 -17.969 236 HH11 ARG 43 HH11 ARG 43 6.433 19.743 -14.946 237 HH12 ARG 43 HH12 ARG 43 7.586 20.794 -14.192 238 HH21 ARG 43 HH21 ARG 43 9.677 20.979 -16.988 239 HH22 ARG 43 HH22 ARG 43 9.430 21.498 -15.355 240 H LEU 44 H LEU 44 6.918 17.260 -20.989 241 HA LEU 44 HA LEU 44 5.053 18.590 -22.523 242 HB2 LEU 44 HB2 LEU 44 7.729 17.657 -23.538 243 HB3 LEU 44 HB3 LEU 44 6.810 19.063 -24.074 244 HG LEU 44 HG LEU 44 8.143 18.732 -21.386 245 HD11 LEU 44 HD11 LEU 44 9.846 20.074 -22.126 246 HD12 LEU 44 HD12 LEU 44 8.867 20.807 -23.396 247 HD13 LEU 44 HD13 LEU 44 9.485 19.168 -23.595 248 HD21 LEU 44 HD21 LEU 44 7.578 21.312 -21.470 249 HD22 LEU 44 HD22 LEU 44 6.423 20.132 -20.849 250 HD23 LEU 44 HD23 LEU 44 6.259 20.745 -22.495 251 H LYS 45 H LYS 45 4.635 18.330 -24.885 252 HA LYS 45 HA LYS 45 3.490 15.769 -25.381 253 HB2 LYS 45 HB2 LYS 45 3.358 18.404 -26.523 254 HB3 LYS 45 HB3 LYS 45 3.599 17.221 -27.802 255 HG2 LYS 45 HG2 LYS 45 1.663 15.999 -26.383 256 HG3 LYS 45 HG3 LYS 45 1.271 17.691 -26.068 257 HD2 LYS 45 HD2 LYS 45 1.726 16.563 -28.826 258 HD3 LYS 45 HD3 LYS 45 0.135 16.694 -28.072 259 HE2 LYS 45 HE2 LYS 45 1.884 19.106 -28.196 260 HE3 LYS 45 HE3 LYS 45 1.046 18.583 -29.657 261 HZ1 LYS 45 HZ1 LYS 45 -1.001 18.534 -28.102 262 HZ2 LYS 45 HZ2 LYS 45 -0.461 20.016 -28.712 263 HZ3 LYS 45 HZ3 LYS 45 -0.084 19.567 -27.125 264 H GLU 46 H GLU 46 5.943 17.588 -27.234 265 HA GLU 46 HA GLU 46 6.735 15.487 -28.877 266 HB2 GLU 46 HB2 GLU 46 8.636 16.799 -29.444 267 HB3 GLU 46 HB3 GLU 46 7.323 17.926 -29.134 268 HG2 GLU 46 HG2 GLU 46 8.212 18.387 -26.922 269 HG3 GLU 46 HG3 GLU 46 9.508 17.222 -27.188 270 H ASP 47 H ASP 47 7.607 16.235 -25.591 271 HA ASP 47 HA ASP 47 9.970 14.870 -25.249 272 HB2 ASP 47 HB2 ASP 47 7.732 15.660 -23.526 273 HB3 ASP 47 HB3 ASP 47 8.613 14.252 -22.939 274 H HIS 48 H HIS 48 6.689 13.518 -24.910 275 HA HIS 48 HA HIS 48 7.816 10.821 -24.947 276 HB2 HIS 48 HB2 HIS 48 5.551 10.087 -24.323 277 HB3 HIS 48 HB3 HIS 48 6.162 11.311 -23.213 278 HD1 HIS 48 HD1 HIS 48 4.758 13.359 -22.900 279 HD2 HIS 48 HD2 HIS 48 3.577 11.112 -26.189 280 HE1 HIS 48 HE1 HIS 48 2.617 14.409 -23.698 281 H HIS 49 H HIS 49 7.555 12.700 -27.311 282 HA HIS 49 HA HIS 49 6.963 12.637 -29.512 283 HB2 HIS 49 HB2 HIS 49 7.180 9.691 -28.882 284 HB3 HIS 49 HB3 HIS 49 6.965 10.313 -30.516 285 HD1 HIS 49 HD1 HIS 49 9.017 11.133 -31.716 286 HD2 HIS 49 HD2 HIS 49 9.696 10.420 -27.680 287 HE1 HIS 49 HE1 HIS 49 11.505 11.335 -31.407 288 H CYS 50 H CYS 50 4.813 13.348 -28.219 289 HA CYS 50 HA CYS 50 2.564 11.752 -28.142 290 HB2 CYS 50 HB2 CYS 50 2.880 14.197 -27.381 291 HB3 CYS 50 HB3 CYS 50 2.429 14.626 -29.028 292 H ARG 51 H ARG 51 1.377 10.749 -29.623 293 HA ARG 51 HA ARG 51 2.007 10.613 -32.312 294 HB2 ARG 51 HB2 ARG 51 -0.004 9.553 -30.589 295 HB3 ARG 51 HB3 ARG 51 -0.788 10.138 -32.050 296 HG2 ARG 51 HG2 ARG 51 0.484 8.707 -33.426 297 HG3 ARG 51 HG3 ARG 51 1.605 8.326 -32.117 298 HD2 ARG 51 HD2 ARG 51 -0.574 7.455 -30.939 299 HD3 ARG 51 HD3 ARG 51 -1.169 7.346 -32.595 300 HE ARG 51 HE ARG 51 0.727 5.623 -31.337 301 HH11 ARG 51 HH11 ARG 51 -0.222 7.007 -34.387 302 HH12 ARG 51 HH12 ARG 51 0.455 5.720 -35.330 303 HH21 ARG 51 HH21 ARG 51 1.622 3.923 -32.566 304 HH22 ARG 51 HH22 ARG 51 1.503 3.966 -34.293 305 H TRP 52 H TRP 52 -0.187 12.791 -30.643 306 HA TRP 52 HA TRP 52 -1.518 13.865 -32.856 307 HB2 TRP 52 HB2 TRP 52 -2.035 14.217 -30.383 308 HB3 TRP 52 HB3 TRP 52 -0.769 15.442 -30.395 309 HD1 TRP 52 HD1 TRP 52 -4.359 14.847 -31.431 310 HE1 TRP 52 HE1 TRP 52 -5.361 17.045 -32.320 311 HE3 TRP 52 HE3 TRP 52 -0.088 17.647 -31.672 312 HZ2 TRP 52 HZ2 TRP 52 -4.460 19.625 -33.030 313 HZ3 TRP 52 HZ3 TRP 52 -0.245 19.971 -32.467 314 HH2 TRP 52 HH2 TRP 52 -2.386 20.937 -33.132 315 H LEU 53 H LEU 53 1.570 14.724 -31.375 316 HA LEU 53 HA LEU 53 2.036 17.051 -32.911 317 HB2 LEU 53 HB2 LEU 53 3.483 15.411 -31.011 318 HB3 LEU 53 HB3 LEU 53 4.531 15.991 -32.304 319 HG LEU 53 HG LEU 53 2.866 17.708 -30.464 320 HD11 LEU 53 HD11 LEU 53 4.971 18.402 -29.516 321 HD12 LEU 53 HD12 LEU 53 5.856 17.368 -30.637 322 HD13 LEU 53 HD13 LEU 53 4.824 16.648 -29.401 323 HD21 LEU 53 HD21 LEU 53 4.586 18.330 -32.838 324 HD22 LEU 53 HD22 LEU 53 4.345 19.511 -31.551 325 HD23 LEU 53 HD23 LEU 53 2.961 18.903 -32.460 326 H LEU 54 H LEU 54 2.731 13.646 -33.435 327 HA LEU 54 HA LEU 54 4.381 14.039 -35.727 328 HB2 LEU 54 HB2 LEU 54 2.824 11.535 -35.233 329 HB3 LEU 54 HB3 LEU 54 4.433 11.728 -35.925 330 HG LEU 54 HG LEU 54 3.681 12.002 -33.016 331 HD11 LEU 54 HD11 LEU 54 3.826 9.694 -34.093 332 HD12 LEU 54 HD12 LEU 54 4.809 9.983 -32.658 333 HD13 LEU 54 HD13 LEU 54 5.553 10.011 -34.256 334 HD21 LEU 54 HD21 LEU 54 5.422 13.597 -33.611 335 HD22 LEU 54 HD22 LEU 54 6.361 12.311 -34.369 336 HD23 LEU 54 HD23 LEU 54 6.081 12.290 -32.627 337 H GLU 55 H GLU 55 1.026 12.878 -35.364 338 HA GLU 55 HA GLU 55 0.421 12.761 -38.090 339 HB2 GLU 55 HB2 GLU 55 -1.906 12.710 -37.424 340 HB3 GLU 55 HB3 GLU 55 -0.957 11.743 -36.304 341 HG2 GLU 55 HG2 GLU 55 -0.917 13.776 -34.797 342 HG3 GLU 55 HG3 GLU 55 -2.147 14.461 -35.858 343 H HIS 56 H HIS 56 0.288 15.431 -35.808 344 HA HIS 56 HA HIS 56 -0.364 17.228 -38.051 345 HB2 HIS 56 HB2 HIS 56 -1.466 17.085 -35.298 346 HB3 HIS 56 HB3 HIS 56 -1.177 18.695 -35.951 347 HD1 HIS 56 HD1 HIS 56 -3.366 19.554 -36.709 348 HD2 HIS 56 HD2 HIS 56 -2.839 15.560 -37.726 349 HE1 HIS 56 HE1 HIS 56 -5.398 18.928 -38.052 350 H GLU 57 H GLU 57 1.912 17.451 -38.415 351 HA GLU 57 HA GLU 57 3.334 18.974 -36.338 352 HB2 GLU 57 HB2 GLU 57 5.381 18.383 -37.735 353 HB3 GLU 57 HB3 GLU 57 4.608 17.063 -36.868 354 HG2 GLU 57 HG2 GLU 57 3.918 16.033 -38.761 355 HG3 GLU 57 HG3 GLU 57 3.712 17.545 -39.643 356 H GLU 58 H GLU 58 2.136 20.893 -36.991 357 HA GLU 58 HA GLU 58 2.959 22.012 -39.576 358 HB2 GLU 58 HB2 GLU 58 1.187 23.707 -39.150 359 HB3 GLU 58 HB3 GLU 58 0.577 22.060 -39.230 360 HG2 GLU 58 HG2 GLU 58 1.278 22.855 -36.529 361 HG3 GLU 58 HG3 GLU 58 0.058 23.901 -37.254 362 H VAL 59 H VAL 59 3.977 24.002 -39.734 363 HA VAL 59 HA VAL 59 5.418 25.663 -39.145 364 HB VAL 59 HB VAL 59 3.952 25.630 -36.503 365 HG11 VAL 59 HG11 VAL 59 5.972 27.414 -37.729 366 HG12 VAL 59 HG12 VAL 59 4.646 28.182 -36.853 367 HG13 VAL 59 HG13 VAL 59 5.687 27.016 -36.035 368 HG21 VAL 59 HG21 VAL 59 2.730 27.595 -37.621 369 HG22 VAL 59 HG22 VAL 59 3.316 26.914 -39.139 370 HG23 VAL 59 HG23 VAL 59 2.270 25.958 -38.090 Start of MODEL 11 1 H MET 11 H MET 11 -7.614 -0.151 -6.433 2 HA MET 11 HA MET 11 -5.442 -0.710 -7.320 3 HB2 MET 11 HB2 MET 11 -4.838 1.344 -8.549 4 HB3 MET 11 HB3 MET 11 -6.565 1.016 -8.606 5 HG2 MET 11 HG2 MET 11 -7.033 2.986 -7.721 6 HG3 MET 11 HG3 MET 11 -5.953 2.689 -6.360 7 HE1 MET 11 HE1 MET 11 -6.736 5.257 -7.385 8 HE2 MET 11 HE2 MET 11 -5.226 5.821 -6.669 9 HE3 MET 11 HE3 MET 11 -5.596 6.191 -8.354 10 H LEU 12 H LEU 12 -3.140 -0.020 -7.479 11 HA LEU 12 HA LEU 12 -2.124 1.375 -5.124 12 HB2 LEU 12 HB2 LEU 12 -0.398 -0.513 -4.912 13 HB3 LEU 12 HB3 LEU 12 -2.009 -0.762 -4.244 14 HG LEU 12 HG LEU 12 -1.922 -1.731 -6.943 15 HD11 LEU 12 HD11 LEU 12 0.392 -2.405 -5.211 16 HD12 LEU 12 HD12 LEU 12 0.289 -2.272 -6.966 17 HD13 LEU 12 HD13 LEU 12 -0.347 -3.701 -6.151 18 HD21 LEU 12 HD21 LEU 12 -2.247 -3.102 -4.275 19 HD22 LEU 12 HD22 LEU 12 -2.627 -3.809 -5.845 20 HD23 LEU 12 HD23 LEU 12 -3.538 -2.416 -5.261 21 H ASP 13 H ASP 13 -0.799 2.878 -5.873 22 HA ASP 13 HA ASP 13 1.303 2.185 -7.734 23 HB2 ASP 13 HB2 ASP 13 -1.077 3.710 -8.552 24 HB3 ASP 13 HB3 ASP 13 0.455 4.478 -8.961 25 H VAL 14 H VAL 14 2.792 2.757 -6.198 26 HA VAL 14 HA VAL 14 2.639 5.315 -4.857 27 HB VAL 14 HB VAL 14 4.833 4.648 -3.867 28 HG11 VAL 14 HG11 VAL 14 2.414 2.896 -3.653 29 HG12 VAL 14 HG12 VAL 14 3.851 2.577 -2.680 30 HG13 VAL 14 HG13 VAL 14 3.007 4.119 -2.530 31 HG21 VAL 14 HG21 VAL 14 4.456 1.919 -5.009 32 HG22 VAL 14 HG22 VAL 14 5.287 3.145 -5.966 33 HG23 VAL 14 HG23 VAL 14 5.916 2.685 -4.383 34 H GLY 15 H GLY 15 2.637 6.025 -7.382 35 HA2 GLY 15 HA2 GLY 15 3.917 7.850 -8.327 36 HA3 GLY 15 HA3 GLY 15 5.380 7.007 -7.842 37 H LYS 16 H LYS 16 4.191 8.005 -10.486 38 HA LYS 16 HA LYS 16 4.293 5.476 -11.979 39 HB2 LYS 16 HB2 LYS 16 2.669 7.799 -12.213 40 HB3 LYS 16 HB3 LYS 16 3.662 7.697 -13.661 41 HG2 LYS 16 HG2 LYS 16 1.982 5.434 -12.607 42 HG3 LYS 16 HG3 LYS 16 1.454 6.574 -13.847 43 HD2 LYS 16 HD2 LYS 16 2.728 5.618 -15.445 44 HD3 LYS 16 HD3 LYS 16 4.067 5.310 -14.337 45 HE2 LYS 16 HE2 LYS 16 1.957 3.650 -13.508 46 HE3 LYS 16 HE3 LYS 16 2.021 3.522 -15.265 47 HZ1 LYS 16 HZ1 LYS 16 4.377 3.184 -13.494 48 HZ2 LYS 16 HZ2 LYS 16 4.302 2.887 -15.157 49 HZ3 LYS 16 HZ3 LYS 16 3.445 1.901 -14.083 50 H HIS 17 H HIS 17 5.860 5.071 -13.452 51 HA HIS 17 HA HIS 17 8.139 6.881 -13.479 52 HB2 HIS 17 HB2 HIS 17 7.959 4.195 -14.839 53 HB3 HIS 17 HB3 HIS 17 9.407 5.064 -14.340 54 HD1 HIS 17 HD1 HIS 17 6.442 3.268 -12.807 55 HD2 HIS 17 HD2 HIS 17 10.321 4.411 -11.856 56 HE1 HIS 17 HE1 HIS 17 6.929 2.205 -10.580 57 H CYS 18 H CYS 18 8.879 7.972 -15.232 58 HA CYS 18 HA CYS 18 7.168 8.780 -17.237 59 HB2 CYS 18 HB2 CYS 18 9.363 9.844 -16.548 60 HB3 CYS 18 HB3 CYS 18 10.167 8.644 -17.554 61 H ALA 19 H ALA 19 6.878 8.250 -19.400 62 HA ALA 19 HA ALA 19 7.536 5.477 -20.060 63 HB1 ALA 19 HB1 ALA 19 5.429 5.454 -20.756 64 HB2 ALA 19 HB2 ALA 19 5.291 7.202 -20.558 65 HB3 ALA 19 HB3 ALA 19 5.904 6.532 -22.070 66 H TYR 20 H TYR 20 9.307 7.984 -20.295 67 HA TYR 20 HA TYR 20 10.179 7.438 -23.050 68 HB2 TYR 20 HB2 TYR 20 8.974 9.707 -22.642 69 HB3 TYR 20 HB3 TYR 20 10.472 10.174 -21.846 70 HD1 TYR 20 HD1 TYR 20 12.594 10.230 -23.155 71 HD2 TYR 20 HD2 TYR 20 8.817 9.606 -25.013 72 HE1 TYR 20 HE1 TYR 20 13.577 10.808 -25.334 73 HE2 TYR 20 HE2 TYR 20 9.790 10.181 -27.197 74 HH TYR 20 HH TYR 20 11.668 10.630 -28.316 75 H CYS 21 H CYS 21 11.102 8.785 -19.897 76 HA CYS 21 HA CYS 21 13.872 7.936 -20.424 77 HB2 CYS 21 HB2 CYS 21 14.636 9.641 -18.969 78 HB3 CYS 21 HB3 CYS 21 13.396 10.396 -19.965 79 H ARG 22 H ARG 22 11.098 7.303 -18.588 80 HA ARG 22 HA ARG 22 10.637 5.813 -16.932 81 HB2 ARG 22 HB2 ARG 22 13.466 4.825 -17.318 82 HB3 ARG 22 HB3 ARG 22 12.129 3.949 -16.585 83 HG2 ARG 22 HG2 ARG 22 11.441 4.807 -19.243 84 HG3 ARG 22 HG3 ARG 22 12.942 3.880 -19.247 85 HD2 ARG 22 HD2 ARG 22 11.603 2.257 -17.700 86 HD3 ARG 22 HD3 ARG 22 10.198 3.050 -18.411 87 HE ARG 22 HE ARG 22 10.631 1.980 -20.398 88 HH11 ARG 22 HH11 ARG 22 13.361 1.639 -18.265 89 HH12 ARG 22 HH12 ARG 22 14.163 0.473 -19.265 90 HH21 ARG 22 HH21 ARG 22 11.677 0.446 -21.723 91 HH22 ARG 22 HH22 ARG 22 13.204 -0.204 -21.233 92 H GLN 23 H GLN 23 10.758 7.924 -15.693 93 HA GLN 23 HA GLN 23 12.836 7.729 -13.613 94 HB2 GLN 23 HB2 GLN 23 11.748 10.055 -15.088 95 HB3 GLN 23 HB3 GLN 23 12.016 10.286 -13.365 96 HG2 GLN 23 HG2 GLN 23 14.343 9.646 -13.619 97 HG3 GLN 23 HG3 GLN 23 14.087 9.349 -15.338 98 HE21 GLN 23 HE21 GLN 23 16.044 11.009 -14.785 99 HE22 GLN 23 HE22 GLN 23 15.609 12.653 -15.090 100 H LEU 24 H LEU 24 12.003 6.950 -11.799 101 HA LEU 24 HA LEU 24 9.260 6.807 -11.215 102 HB2 LEU 24 HB2 LEU 24 11.225 5.443 -10.273 103 HB3 LEU 24 HB3 LEU 24 11.404 6.762 -9.119 104 HG LEU 24 HG LEU 24 8.801 5.299 -9.427 105 HD11 LEU 24 HD11 LEU 24 9.467 3.536 -8.216 106 HD12 LEU 24 HD12 LEU 24 10.528 4.507 -7.196 107 HD13 LEU 24 HD13 LEU 24 11.081 3.970 -8.782 108 HD21 LEU 24 HD21 LEU 24 8.529 7.265 -8.186 109 HD22 LEU 24 HD22 LEU 24 10.070 7.060 -7.353 110 HD23 LEU 24 HD23 LEU 24 8.712 6.001 -6.970 111 H ASP 25 H ASP 25 8.063 8.602 -11.037 112 HA ASP 25 HA ASP 25 9.036 10.736 -9.252 113 HB2 ASP 25 HB2 ASP 25 8.158 10.911 -11.909 114 HB3 ASP 25 HB3 ASP 25 6.832 11.549 -10.941 115 H PHE 26 H PHE 26 7.302 11.939 -8.106 116 HA PHE 26 HA PHE 26 5.400 10.036 -6.984 117 HB2 PHE 26 HB2 PHE 26 5.896 12.857 -6.038 118 HB3 PHE 26 HB3 PHE 26 5.206 11.514 -5.131 119 HD1 PHE 26 HD1 PHE 26 8.306 12.911 -6.532 120 HD2 PHE 26 HD2 PHE 26 6.588 9.918 -4.040 121 HE1 PHE 26 HE1 PHE 26 10.540 12.360 -5.660 122 HE2 PHE 26 HE2 PHE 26 8.819 9.363 -3.163 123 HZ PHE 26 HZ PHE 26 10.799 10.584 -3.974 124 H LEU 27 H LEU 27 5.456 13.167 -8.613 125 HA LEU 27 HA LEU 27 2.523 13.055 -8.833 126 HB2 LEU 27 HB2 LEU 27 4.403 15.202 -8.335 127 HB3 LEU 27 HB3 LEU 27 3.352 15.560 -9.704 128 HG LEU 27 HG LEU 27 2.255 14.704 -7.039 129 HD11 LEU 27 HD11 LEU 27 2.973 17.476 -7.969 130 HD12 LEU 27 HD12 LEU 27 3.554 16.635 -6.532 131 HD13 LEU 27 HD13 LEU 27 1.868 17.140 -6.636 132 HD21 LEU 27 HD21 LEU 27 0.431 16.329 -8.123 133 HD22 LEU 27 HD22 LEU 27 0.483 14.595 -8.447 134 HD23 LEU 27 HD23 LEU 27 1.187 15.730 -9.600 135 HA PRO 28 HA PRO 28 3.999 12.026 -13.066 136 HB2 PRO 28 HB2 PRO 28 1.931 10.352 -13.604 137 HB3 PRO 28 HB3 PRO 28 3.389 9.833 -12.750 138 HG2 PRO 28 HG2 PRO 28 0.715 10.600 -11.642 139 HG3 PRO 28 HG3 PRO 28 1.772 9.252 -11.183 140 HD2 PRO 28 HD2 PRO 28 1.634 11.548 -9.753 141 HD3 PRO 28 HD3 PRO 28 3.123 10.591 -9.881 142 H PHE 29 H PHE 29 3.500 13.306 -14.725 143 HA PHE 29 HA PHE 29 1.066 14.873 -14.658 144 HB2 PHE 29 HB2 PHE 29 3.573 14.914 -16.298 145 HB3 PHE 29 HB3 PHE 29 2.144 15.762 -16.879 146 HD1 PHE 29 HD1 PHE 29 1.487 17.829 -15.955 147 HD2 PHE 29 HD2 PHE 29 4.583 15.559 -14.117 148 HE1 PHE 29 HE1 PHE 29 2.052 19.756 -14.533 149 HE2 PHE 29 HE2 PHE 29 5.152 17.481 -12.692 150 HZ PHE 29 HZ PHE 29 3.885 19.583 -12.897 151 H HIS 30 H HIS 30 -0.725 13.856 -15.316 152 HA HIS 30 HA HIS 30 -0.668 11.865 -17.402 153 HB2 HIS 30 HB2 HIS 30 -2.181 11.585 -15.507 154 HB3 HIS 30 HB3 HIS 30 -2.985 13.101 -15.899 155 HD1 HIS 30 HD1 HIS 30 -2.985 9.513 -16.680 156 HD2 HIS 30 HD2 HIS 30 -4.542 12.996 -18.325 157 HE1 HIS 30 HE1 HIS 30 -4.736 8.758 -18.319 158 H CYS 31 H CYS 31 -0.878 12.238 -19.502 159 HA CYS 31 HA CYS 31 -1.530 14.905 -20.432 160 HB2 CYS 31 HB2 CYS 31 0.262 13.110 -21.323 161 HB3 CYS 31 HB3 CYS 31 -1.093 12.699 -22.370 162 H SER 32 H SER 32 -3.411 15.533 -21.292 163 HA SER 32 HA SER 32 -5.577 13.585 -21.418 164 HB2 SER 32 HB2 SER 32 -5.560 16.063 -20.381 165 HB3 SER 32 HB3 SER 32 -6.084 16.451 -22.019 166 HG SER 32 HG SER 32 -7.677 14.689 -21.655 167 H PHE 33 H PHE 33 -3.347 13.977 -23.465 168 HA PHE 33 HA PHE 33 -5.093 14.334 -25.813 169 HB2 PHE 33 HB2 PHE 33 -2.105 14.713 -25.855 170 HB3 PHE 33 HB3 PHE 33 -3.292 15.257 -27.036 171 HD1 PHE 33 HD1 PHE 33 -5.298 16.538 -25.324 172 HD2 PHE 33 HD2 PHE 33 -1.047 16.639 -25.130 173 HE1 PHE 33 HE1 PHE 33 -5.404 18.728 -24.207 174 HE2 PHE 33 HE2 PHE 33 -1.146 18.828 -24.012 175 HZ PHE 33 HZ PHE 33 -3.327 19.875 -23.549 176 H CYS 34 H CYS 34 -2.233 12.620 -24.588 177 HA CYS 34 HA CYS 34 -2.724 10.499 -26.564 178 HB2 CYS 34 HB2 CYS 34 -0.415 9.785 -26.135 179 HB3 CYS 34 HB3 CYS 34 -0.476 11.474 -26.630 180 H ASN 35 H ASN 35 -2.941 11.258 -23.251 181 HA ASN 35 HA ASN 35 -3.675 10.072 -21.452 182 HB2 ASN 35 HB2 ASN 35 -5.075 8.989 -23.433 183 HB3 ASN 35 HB3 ASN 35 -4.079 7.587 -23.055 184 HD21 ASN 35 HD21 ASN 35 -6.958 8.943 -22.474 185 HD22 ASN 35 HD22 ASN 35 -7.295 8.301 -20.905 186 H GLU 36 H GLU 36 -1.133 10.273 -21.340 187 HA GLU 36 HA GLU 36 -0.198 7.652 -20.469 188 HB2 GLU 36 HB2 GLU 36 1.179 9.363 -22.527 189 HB3 GLU 36 HB3 GLU 36 2.070 8.209 -21.544 190 HG2 GLU 36 HG2 GLU 36 -0.054 6.736 -22.508 191 HG3 GLU 36 HG3 GLU 36 0.389 7.772 -23.863 192 H ASP 37 H ASP 37 1.609 7.757 -19.004 193 HA ASP 37 HA ASP 37 1.638 10.276 -17.512 194 HB2 ASP 37 HB2 ASP 37 2.391 7.449 -16.779 195 HB3 ASP 37 HB3 ASP 37 2.775 8.824 -15.747 196 H PHE 38 H PHE 38 3.489 11.404 -17.063 197 HA PHE 38 HA PHE 38 6.069 10.371 -17.890 198 HB2 PHE 38 HB2 PHE 38 4.945 12.895 -19.125 199 HB3 PHE 38 HB3 PHE 38 6.569 12.260 -19.369 200 HD1 PHE 38 HD1 PHE 38 6.781 9.946 -20.433 201 HD2 PHE 38 HD2 PHE 38 3.204 12.252 -20.518 202 HE1 PHE 38 HE1 PHE 38 5.977 8.623 -22.345 203 HE2 PHE 38 HE2 PHE 38 2.394 10.931 -22.430 204 HZ PHE 38 HZ PHE 38 3.780 9.113 -23.345 205 H CYS 39 H CYS 39 7.720 11.207 -16.720 206 HA CYS 39 HA CYS 39 7.297 12.455 -14.308 207 HB2 CYS 39 HB2 CYS 39 9.641 12.715 -14.135 208 HB3 CYS 39 HB3 CYS 39 9.408 11.294 -15.148 209 H SER 40 H SER 40 7.882 14.597 -13.545 210 HA SER 40 HA SER 40 6.558 16.649 -14.846 211 HB2 SER 40 HB2 SER 40 7.582 18.156 -13.249 212 HB3 SER 40 HB3 SER 40 7.208 16.638 -12.433 213 HG SER 40 HG SER 40 9.287 17.245 -11.884 214 H ASN 41 H ASN 41 9.921 15.661 -15.074 215 HA ASN 41 HA ASN 41 10.919 17.902 -16.443 216 HB2 ASN 41 HB2 ASN 41 12.032 15.639 -15.444 217 HB3 ASN 41 HB3 ASN 41 12.063 15.273 -17.166 218 HD21 ASN 41 HD21 ASN 41 13.051 17.611 -14.738 219 HD22 ASN 41 HD22 ASN 41 14.395 18.239 -15.624 220 H HIS 42 H HIS 42 9.028 15.190 -17.500 221 HA HIS 42 HA HIS 42 9.215 16.169 -20.274 222 HB2 HIS 42 HB2 HIS 42 8.839 13.368 -19.219 223 HB3 HIS 42 HB3 HIS 42 8.481 13.804 -20.887 224 HD2 HIS 42 HD2 HIS 42 10.977 15.199 -22.021 225 HE1 HIS 42 HE1 HIS 42 13.383 12.366 -19.977 226 HE2 HIS 42 HE2 HIS 42 13.310 14.103 -21.800 227 H ARG 43 H ARG 43 7.387 16.853 -17.956 228 HA ARG 43 HA ARG 43 4.830 15.823 -18.335 229 HB2 ARG 43 HB2 ARG 43 4.014 17.788 -17.184 230 HB3 ARG 43 HB3 ARG 43 5.510 17.253 -16.430 231 HG2 ARG 43 HG2 ARG 43 6.722 18.991 -17.717 232 HG3 ARG 43 HG3 ARG 43 5.168 19.569 -18.321 233 HD2 ARG 43 HD2 ARG 43 4.451 19.939 -15.977 234 HD3 ARG 43 HD3 ARG 43 6.065 19.472 -15.443 235 HE ARG 43 HE ARG 43 5.281 21.978 -16.626 236 HH11 ARG 43 HH11 ARG 43 7.918 19.798 -15.980 237 HH12 ARG 43 HH12 ARG 43 9.132 21.031 -16.075 238 HH21 ARG 43 HH21 ARG 43 6.870 23.610 -16.753 239 HH22 ARG 43 HH22 ARG 43 8.535 23.199 -16.514 240 H LEU 44 H LEU 44 6.532 18.380 -20.044 241 HA LEU 44 HA LEU 44 4.434 19.542 -21.437 242 HB2 LEU 44 HB2 LEU 44 7.159 19.021 -22.599 243 HB3 LEU 44 HB3 LEU 44 6.049 20.331 -22.996 244 HG LEU 44 HG LEU 44 7.558 19.999 -20.403 245 HD11 LEU 44 HD11 LEU 44 7.890 22.273 -22.302 246 HD12 LEU 44 HD12 LEU 44 8.717 20.749 -22.623 247 HD13 LEU 44 HD13 LEU 44 9.021 21.616 -21.118 248 HD21 LEU 44 HD21 LEU 44 5.209 21.532 -21.087 249 HD22 LEU 44 HD22 LEU 44 6.543 22.582 -20.609 250 HD23 LEU 44 HD23 LEU 44 5.991 21.306 -19.522 251 H LYS 45 H LYS 45 4.091 19.335 -23.858 252 HA LYS 45 HA LYS 45 3.239 16.659 -24.415 253 HB2 LYS 45 HB2 LYS 45 2.735 19.299 -25.449 254 HB3 LYS 45 HB3 LYS 45 3.073 18.194 -26.774 255 HG2 LYS 45 HG2 LYS 45 1.360 16.684 -25.379 256 HG3 LYS 45 HG3 LYS 45 0.783 18.287 -24.915 257 HD2 LYS 45 HD2 LYS 45 1.196 17.373 -27.761 258 HD3 LYS 45 HD3 LYS 45 -0.356 17.359 -26.919 259 HE2 LYS 45 HE2 LYS 45 1.336 19.818 -27.349 260 HE3 LYS 45 HE3 LYS 45 -0.015 19.345 -28.378 261 HZ1 LYS 45 HZ1 LYS 45 -1.515 19.592 -26.558 262 HZ2 LYS 45 HZ2 LYS 45 -0.591 21.006 -26.656 263 HZ3 LYS 45 HZ3 LYS 45 -0.252 19.855 -25.464 264 H GLU 46 H GLU 46 5.375 18.867 -26.236 265 HA GLU 46 HA GLU 46 6.390 16.991 -28.008 266 HB2 GLU 46 HB2 GLU 46 6.923 19.696 -27.320 267 HB3 GLU 46 HB3 GLU 46 8.463 18.847 -27.355 268 HG2 GLU 46 HG2 GLU 46 6.910 18.082 -29.626 269 HG3 GLU 46 HG3 GLU 46 6.978 19.840 -29.522 270 H ASP 47 H ASP 47 7.226 17.607 -24.686 271 HA ASP 47 HA ASP 47 9.738 16.512 -24.462 272 HB2 ASP 47 HB2 ASP 47 7.392 16.701 -22.638 273 HB3 ASP 47 HB3 ASP 47 8.708 15.631 -22.162 274 H HIS 48 H HIS 48 6.647 14.758 -24.193 275 HA HIS 48 HA HIS 48 8.089 12.226 -24.454 276 HB2 HIS 48 HB2 HIS 48 5.935 11.183 -23.843 277 HB3 HIS 48 HB3 HIS 48 6.465 12.357 -22.643 278 HD1 HIS 48 HD1 HIS 48 4.912 14.271 -22.139 279 HD2 HIS 48 HD2 HIS 48 3.746 12.095 -25.480 280 HE1 HIS 48 HE1 HIS 48 2.631 15.140 -22.744 281 H HIS 49 H HIS 49 7.516 14.229 -26.656 282 HA HIS 49 HA HIS 49 6.856 14.256 -28.839 283 HB2 HIS 49 HB2 HIS 49 7.601 11.387 -28.360 284 HB3 HIS 49 HB3 HIS 49 6.995 11.897 -29.933 285 HD1 HIS 49 HD1 HIS 49 8.666 12.870 -31.503 286 HD2 HIS 49 HD2 HIS 49 10.041 12.812 -27.583 287 HE1 HIS 49 HE1 HIS 49 11.069 13.602 -31.622 288 H CYS 50 H CYS 50 4.687 14.582 -27.403 289 HA CYS 50 HA CYS 50 2.653 12.715 -27.420 290 HB2 CYS 50 HB2 CYS 50 2.705 15.095 -26.423 291 HB3 CYS 50 HB3 CYS 50 2.131 15.621 -28.003 292 H ARG 51 H ARG 51 1.568 11.704 -28.968 293 HA ARG 51 HA ARG 51 2.087 11.934 -31.674 294 HB2 ARG 51 HB2 ARG 51 0.332 10.424 -30.017 295 HB3 ARG 51 HB3 ARG 51 -0.609 11.054 -31.363 296 HG2 ARG 51 HG2 ARG 51 0.139 9.339 -32.551 297 HG3 ARG 51 HG3 ARG 51 1.722 10.119 -32.537 298 HD2 ARG 51 HD2 ARG 51 2.305 8.919 -30.496 299 HD3 ARG 51 HD3 ARG 51 0.712 8.165 -30.473 300 HE ARG 51 HE ARG 51 1.457 6.658 -32.017 301 HH11 ARG 51 HH11 ARG 51 3.583 9.414 -32.026 302 HH12 ARG 51 HH12 ARG 51 4.724 8.695 -33.113 303 HH21 ARG 51 HH21 ARG 51 2.951 5.700 -33.449 304 HH22 ARG 51 HH22 ARG 51 4.363 6.582 -33.923 305 H TRP 52 H TRP 52 -0.301 13.607 -29.714 306 HA TRP 52 HA TRP 52 -1.894 14.693 -31.721 307 HB2 TRP 52 HB2 TRP 52 -2.262 14.791 -29.205 308 HB3 TRP 52 HB3 TRP 52 -1.139 16.148 -29.186 309 HD1 TRP 52 HD1 TRP 52 -4.713 15.244 -30.022 310 HE1 TRP 52 HE1 TRP 52 -6.007 17.380 -30.646 311 HE3 TRP 52 HE3 TRP 52 -0.792 18.510 -30.320 312 HZ2 TRP 52 HZ2 TRP 52 -5.440 20.090 -31.193 313 HZ3 TRP 52 HZ3 TRP 52 -1.253 20.857 -30.899 314 HH2 TRP 52 HH2 TRP 52 -3.529 21.628 -31.327 315 H LEU 53 H LEU 53 1.108 15.933 -30.297 316 HA LEU 53 HA LEU 53 1.183 18.365 -31.700 317 HB2 LEU 53 HB2 LEU 53 2.943 16.821 -30.010 318 HB3 LEU 53 HB3 LEU 53 3.832 17.579 -31.329 319 HG LEU 53 HG LEU 53 2.128 18.988 -29.276 320 HD11 LEU 53 HD11 LEU 53 4.638 18.023 -28.948 321 HD12 LEU 53 HD12 LEU 53 3.998 19.445 -28.124 322 HD13 LEU 53 HD13 LEU 53 4.974 19.635 -29.581 323 HD21 LEU 53 HD21 LEU 53 1.904 20.533 -30.881 324 HD22 LEU 53 HD22 LEU 53 3.164 19.814 -31.884 325 HD23 LEU 53 HD23 LEU 53 3.600 20.895 -30.560 326 H LEU 54 H LEU 54 2.359 15.144 -32.515 327 HA LEU 54 HA LEU 54 3.714 15.950 -34.893 328 HB2 LEU 54 HB2 LEU 54 2.671 13.183 -34.454 329 HB3 LEU 54 HB3 LEU 54 4.157 13.701 -35.248 330 HG LEU 54 HG LEU 54 3.618 13.683 -32.279 331 HD11 LEU 54 HD11 LEU 54 4.818 11.790 -34.153 332 HD12 LEU 54 HD12 LEU 54 4.206 11.540 -32.519 333 HD13 LEU 54 HD13 LEU 54 5.837 12.166 -32.764 334 HD21 LEU 54 HD21 LEU 54 5.048 15.456 -32.422 335 HD22 LEU 54 HD22 LEU 54 5.772 14.897 -33.930 336 HD23 LEU 54 HD23 LEU 54 6.218 14.137 -32.402 337 H GLU 55 H GLU 55 0.489 14.744 -34.157 338 HA GLU 55 HA GLU 55 -0.396 14.213 -36.749 339 HB2 GLU 55 HB2 GLU 55 -1.544 14.397 -34.148 340 HB3 GLU 55 HB3 GLU 55 -2.552 15.322 -35.251 341 HG2 GLU 55 HG2 GLU 55 -1.683 12.594 -36.052 342 HG3 GLU 55 HG3 GLU 55 -2.964 12.767 -34.854 343 H HIS 56 H HIS 56 -0.197 17.234 -34.963 344 HA HIS 56 HA HIS 56 -1.369 18.682 -37.226 345 HB2 HIS 56 HB2 HIS 56 -0.853 19.393 -34.352 346 HB3 HIS 56 HB3 HIS 56 -1.131 20.652 -35.551 347 HD1 HIS 56 HD1 HIS 56 -3.470 21.408 -35.449 348 HD2 HIS 56 HD2 HIS 56 -3.148 17.327 -34.739 349 HE1 HIS 56 HE1 HIS 56 -5.826 20.597 -35.110 350 H GLU 57 H GLU 57 0.874 17.813 -38.145 351 HA GLU 57 HA GLU 57 2.979 19.781 -37.603 352 HB2 GLU 57 HB2 GLU 57 2.942 17.027 -38.749 353 HB3 GLU 57 HB3 GLU 57 4.215 18.125 -39.263 354 HG2 GLU 57 HG2 GLU 57 3.771 17.976 -36.361 355 HG3 GLU 57 HG3 GLU 57 4.380 16.506 -37.118 356 H GLU 58 H GLU 58 2.211 21.560 -38.728 357 HA GLU 58 HA GLU 58 2.017 21.231 -41.650 358 HB2 GLU 58 HB2 GLU 58 0.684 23.394 -41.547 359 HB3 GLU 58 HB3 GLU 58 -0.104 21.958 -40.909 360 HG2 GLU 58 HG2 GLU 58 1.379 23.376 -38.867 361 HG3 GLU 58 HG3 GLU 58 0.168 24.396 -39.642 362 H VAL 59 H VAL 59 4.504 21.496 -40.444 363 HA VAL 59 HA VAL 59 5.274 24.217 -41.276 364 HB VAL 59 HB VAL 59 7.183 24.036 -39.666 365 HG11 VAL 59 HG11 VAL 59 5.372 24.056 -37.620 366 HG12 VAL 59 HG12 VAL 59 5.743 25.430 -38.663 367 HG13 VAL 59 HG13 VAL 59 4.355 24.401 -39.018 368 HG21 VAL 59 HG21 VAL 59 7.509 22.262 -38.323 369 HG22 VAL 59 HG22 VAL 59 5.785 22.031 -38.038 370 HG23 VAL 59 HG23 VAL 59 6.527 21.405 -39.510 Start of MODEL 12 1 H MET 11 H MET 11 2.707 -1.296 3.070 2 HA MET 11 HA MET 11 3.425 1.323 2.164 3 HB2 MET 11 HB2 MET 11 4.812 -1.337 2.240 4 HB3 MET 11 HB3 MET 11 5.517 0.006 1.352 5 HG2 MET 11 HG2 MET 11 4.669 0.575 4.117 6 HG3 MET 11 HG3 MET 11 6.040 -0.516 3.924 7 HE1 MET 11 HE1 MET 11 8.911 1.712 3.500 8 HE2 MET 11 HE2 MET 11 8.077 0.940 4.849 9 HE3 MET 11 HE3 MET 11 8.292 0.070 3.329 10 H LEU 12 H LEU 12 3.034 2.157 0.229 11 HA LEU 12 HA LEU 12 3.056 0.429 -2.125 12 HB2 LEU 12 HB2 LEU 12 0.845 2.421 -1.750 13 HB3 LEU 12 HB3 LEU 12 0.968 1.127 -2.941 14 HG LEU 12 HG LEU 12 0.641 0.607 0.006 15 HD11 LEU 12 HD11 LEU 12 -1.477 0.914 -2.114 16 HD12 LEU 12 HD12 LEU 12 -1.271 1.893 -0.662 17 HD13 LEU 12 HD13 LEU 12 -1.748 0.201 -0.524 18 HD21 LEU 12 HD21 LEU 12 0.715 -1.547 -0.542 19 HD22 LEU 12 HD22 LEU 12 1.285 -1.045 -2.134 20 HD23 LEU 12 HD23 LEU 12 -0.436 -1.320 -1.859 21 H ASP 13 H ASP 13 2.228 2.276 -3.999 22 HA ASP 13 HA ASP 13 3.626 4.765 -3.660 23 HB2 ASP 13 HB2 ASP 13 5.033 2.504 -4.744 24 HB3 ASP 13 HB3 ASP 13 4.844 3.734 -5.992 25 H VAL 14 H VAL 14 1.922 5.925 -4.369 26 HA VAL 14 HA VAL 14 0.408 5.136 -6.695 27 HB VAL 14 HB VAL 14 -0.806 7.290 -6.327 28 HG11 VAL 14 HG11 VAL 14 -1.908 6.577 -4.270 29 HG12 VAL 14 HG12 VAL 14 -1.571 5.197 -5.318 30 HG13 VAL 14 HG13 VAL 14 -0.556 5.504 -3.908 31 HG21 VAL 14 HG21 VAL 14 0.078 8.900 -5.079 32 HG22 VAL 14 HG22 VAL 14 0.110 7.826 -3.680 33 HG23 VAL 14 HG23 VAL 14 1.487 7.882 -4.781 34 H GLY 15 H GLY 15 2.800 5.279 -7.717 35 HA2 GLY 15 HA2 GLY 15 2.882 7.888 -9.103 36 HA3 GLY 15 HA3 GLY 15 4.345 7.046 -8.615 37 H LYS 16 H LYS 16 3.206 7.893 -11.283 38 HA LYS 16 HA LYS 16 3.014 5.280 -12.600 39 HB2 LYS 16 HB2 LYS 16 1.753 7.795 -13.028 40 HB3 LYS 16 HB3 LYS 16 2.732 7.441 -14.445 41 HG2 LYS 16 HG2 LYS 16 0.912 6.327 -15.121 42 HG3 LYS 16 HG3 LYS 16 1.526 5.053 -14.065 43 HD2 LYS 16 HD2 LYS 16 -0.288 5.202 -12.788 44 HD3 LYS 16 HD3 LYS 16 0.026 6.916 -12.503 45 HE2 LYS 16 HE2 LYS 16 -2.027 7.054 -13.495 46 HE3 LYS 16 HE3 LYS 16 -0.997 7.149 -14.923 47 HZ1 LYS 16 HZ1 LYS 16 -2.554 5.566 -15.501 48 HZ2 LYS 16 HZ2 LYS 16 -2.609 4.880 -13.956 49 HZ3 LYS 16 HZ3 LYS 16 -1.271 4.607 -14.954 50 H HIS 17 H HIS 17 4.549 4.531 -13.956 51 HA HIS 17 HA HIS 17 7.066 5.971 -14.053 52 HB2 HIS 17 HB2 HIS 17 6.483 3.292 -15.308 53 HB3 HIS 17 HB3 HIS 17 8.042 3.940 -14.806 54 HD1 HIS 17 HD1 HIS 17 4.799 2.702 -13.281 55 HD2 HIS 17 HD2 HIS 17 8.792 3.258 -12.276 56 HE1 HIS 17 HE1 HIS 17 5.069 1.671 -11.003 57 H CYS 18 H CYS 18 7.972 6.887 -15.821 58 HA CYS 18 HA CYS 18 6.433 7.837 -17.903 59 HB2 CYS 18 HB2 CYS 18 8.764 8.582 -17.172 60 HB3 CYS 18 HB3 CYS 18 9.383 7.276 -18.179 61 H ALA 19 H ALA 19 6.238 7.297 -20.106 62 HA ALA 19 HA ALA 19 6.470 4.421 -20.619 63 HB1 ALA 19 HB1 ALA 19 4.417 4.663 -21.424 64 HB2 ALA 19 HB2 ALA 19 4.511 6.416 -21.256 65 HB3 ALA 19 HB3 ALA 19 5.086 5.640 -22.731 66 H TYR 20 H TYR 20 8.548 6.720 -20.902 67 HA TYR 20 HA TYR 20 9.473 5.878 -23.565 68 HB2 TYR 20 HB2 TYR 20 8.556 8.199 -23.627 69 HB3 TYR 20 HB3 TYR 20 9.767 8.671 -22.441 70 HD1 TYR 20 HD1 TYR 20 11.504 9.872 -23.348 71 HD2 TYR 20 HD2 TYR 20 9.782 6.731 -25.644 72 HE1 TYR 20 HE1 TYR 20 13.106 10.325 -25.159 73 HE2 TYR 20 HE2 TYR 20 11.380 7.174 -27.460 74 HH TYR 20 HH TYR 20 14.047 9.380 -27.064 75 H CYS 21 H CYS 21 10.331 7.163 -20.387 76 HA CYS 21 HA CYS 21 13.045 6.071 -20.749 77 HB2 CYS 21 HB2 CYS 21 13.914 7.757 -19.362 78 HB3 CYS 21 HB3 CYS 21 12.741 8.597 -20.371 79 H ARG 22 H ARG 22 10.124 5.746 -19.088 80 HA ARG 22 HA ARG 22 9.425 4.414 -17.382 81 HB2 ARG 22 HB2 ARG 22 11.940 3.108 -18.293 82 HB3 ARG 22 HB3 ARG 22 11.255 2.576 -16.763 83 HG2 ARG 22 HG2 ARG 22 9.212 2.742 -18.780 84 HG3 ARG 22 HG3 ARG 22 10.551 1.729 -19.322 85 HD2 ARG 22 HD2 ARG 22 10.285 0.815 -16.814 86 HD3 ARG 22 HD3 ARG 22 8.623 1.320 -17.118 87 HE ARG 22 HE ARG 22 9.522 -0.192 -19.301 88 HH11 ARG 22 HH11 ARG 22 8.706 -0.580 -15.939 89 HH12 ARG 22 HH12 ARG 22 8.217 -2.233 -16.114 90 HH21 ARG 22 HH21 ARG 22 8.881 -2.368 -19.544 91 HH22 ARG 22 HH22 ARG 22 8.318 -3.249 -18.165 92 H GLN 23 H GLN 23 9.841 6.568 -16.230 93 HA GLN 23 HA GLN 23 11.768 6.123 -14.045 94 HB2 GLN 23 HB2 GLN 23 12.514 8.013 -15.299 95 HB3 GLN 23 HB3 GLN 23 10.893 8.694 -15.358 96 HG2 GLN 23 HG2 GLN 23 11.029 9.565 -13.278 97 HG3 GLN 23 HG3 GLN 23 12.046 8.257 -12.676 98 HE21 GLN 23 HE21 GLN 23 13.997 8.884 -12.136 99 HE22 GLN 23 HE22 GLN 23 14.906 10.157 -12.869 100 H LEU 24 H LEU 24 10.822 5.691 -12.175 101 HA LEU 24 HA LEU 24 8.043 5.963 -11.734 102 HB2 LEU 24 HB2 LEU 24 9.669 4.334 -10.648 103 HB3 LEU 24 HB3 LEU 24 10.122 5.664 -9.584 104 HG LEU 24 HG LEU 24 7.272 4.748 -9.806 105 HD11 LEU 24 HD11 LEU 24 9.042 2.916 -9.183 106 HD12 LEU 24 HD12 LEU 24 7.544 3.073 -8.267 107 HD13 LEU 24 HD13 LEU 24 9.043 3.749 -7.629 108 HD21 LEU 24 HD21 LEU 24 7.003 6.465 -8.422 109 HD22 LEU 24 HD22 LEU 24 8.745 6.709 -8.289 110 HD23 LEU 24 HD23 LEU 24 7.930 5.564 -7.222 111 H ASP 25 H ASP 25 7.139 7.929 -11.689 112 HA ASP 25 HA ASP 25 8.387 9.986 -9.988 113 HB2 ASP 25 HB2 ASP 25 7.764 10.205 -12.638 114 HB3 ASP 25 HB3 ASP 25 6.310 10.856 -11.886 115 H PHE 26 H PHE 26 6.900 11.433 -8.852 116 HA PHE 26 HA PHE 26 4.702 9.916 -7.702 117 HB2 PHE 26 HB2 PHE 26 5.627 12.666 -6.877 118 HB3 PHE 26 HB3 PHE 26 4.721 11.497 -5.922 119 HD1 PHE 26 HD1 PHE 26 8.020 12.309 -7.331 120 HD2 PHE 26 HD2 PHE 26 5.818 9.755 -4.734 121 HE1 PHE 26 HE1 PHE 26 10.127 11.450 -6.396 122 HE2 PHE 26 HE2 PHE 26 7.922 8.893 -3.794 123 HZ PHE 26 HZ PHE 26 10.080 9.739 -4.625 124 H LEU 27 H LEU 27 5.249 12.825 -9.589 125 HA LEU 27 HA LEU 27 2.333 13.187 -9.798 126 HB2 LEU 27 HB2 LEU 27 3.295 15.514 -10.734 127 HB3 LEU 27 HB3 LEU 27 2.874 15.232 -9.046 128 HG LEU 27 HG LEU 27 5.265 14.726 -8.593 129 HD11 LEU 27 HD11 LEU 27 6.951 15.186 -10.203 130 HD12 LEU 27 HD12 LEU 27 5.771 15.817 -11.352 131 HD13 LEU 27 HD13 LEU 27 5.790 14.097 -10.962 132 HD21 LEU 27 HD21 LEU 27 5.504 16.865 -8.032 133 HD22 LEU 27 HD22 LEU 27 4.005 17.179 -8.906 134 HD23 LEU 27 HD23 LEU 27 5.558 17.374 -9.720 135 HA PRO 28 HA PRO 28 3.698 11.723 -13.947 136 HB2 PRO 28 HB2 PRO 28 1.442 10.287 -14.416 137 HB3 PRO 28 HB3 PRO 28 2.822 9.643 -13.518 138 HG2 PRO 28 HG2 PRO 28 0.258 10.792 -12.483 139 HG3 PRO 28 HG3 PRO 28 1.140 9.352 -11.939 140 HD2 PRO 28 HD2 PRO 28 1.279 11.723 -10.639 141 HD3 PRO 28 HD3 PRO 28 2.640 10.585 -10.698 142 H PHE 29 H PHE 29 3.367 12.963 -15.678 143 HA PHE 29 HA PHE 29 1.117 14.794 -15.727 144 HB2 PHE 29 HB2 PHE 29 3.682 14.529 -17.234 145 HB3 PHE 29 HB3 PHE 29 2.363 15.430 -17.974 146 HD1 PHE 29 HD1 PHE 29 1.834 17.613 -17.274 147 HD2 PHE 29 HD2 PHE 29 4.572 15.261 -15.019 148 HE1 PHE 29 HE1 PHE 29 2.453 19.599 -15.960 149 HE2 PHE 29 HE2 PHE 29 5.194 17.243 -13.701 150 HZ PHE 29 HZ PHE 29 4.136 19.416 -14.172 151 H HIS 30 H HIS 30 -0.751 13.943 -16.403 152 HA HIS 30 HA HIS 30 -0.842 11.880 -18.418 153 HB2 HIS 30 HB2 HIS 30 -2.418 11.821 -16.551 154 HB3 HIS 30 HB3 HIS 30 -3.065 13.388 -17.026 155 HD1 HIS 30 HD1 HIS 30 -3.069 9.774 -18.016 156 HD2 HIS 30 HD2 HIS 30 -4.879 13.341 -19.138 157 HE1 HIS 30 HE1 HIS 30 -4.922 9.122 -19.586 158 H CYS 31 H CYS 31 -0.911 12.221 -20.531 159 HA CYS 31 HA CYS 31 -1.317 14.901 -21.556 160 HB2 CYS 31 HB2 CYS 31 0.384 12.996 -22.327 161 HB3 CYS 31 HB3 CYS 31 -0.961 12.576 -23.382 162 H SER 32 H SER 32 -3.135 15.654 -22.429 163 HA SER 32 HA SER 32 -5.416 13.850 -22.660 164 HB2 SER 32 HB2 SER 32 -5.077 16.582 -21.904 165 HB3 SER 32 HB3 SER 32 -6.133 16.528 -23.315 166 HG SER 32 HG SER 32 -7.356 14.908 -22.142 167 H PHE 33 H PHE 33 -3.128 14.051 -24.623 168 HA PHE 33 HA PHE 33 -4.741 14.633 -27.020 169 HB2 PHE 33 HB2 PHE 33 -1.730 14.677 -26.966 170 HB3 PHE 33 HB3 PHE 33 -2.814 15.380 -28.162 171 HD1 PHE 33 HD1 PHE 33 -4.715 16.823 -26.439 172 HD2 PHE 33 HD2 PHE 33 -0.480 16.471 -26.194 173 HE1 PHE 33 HE1 PHE 33 -4.606 18.985 -25.269 174 HE2 PHE 33 HE2 PHE 33 -0.364 18.631 -25.023 175 HZ PHE 33 HZ PHE 33 -2.429 19.891 -24.558 176 H CYS 34 H CYS 34 -2.131 12.596 -25.733 177 HA CYS 34 HA CYS 34 -2.781 10.572 -27.765 178 HB2 CYS 34 HB2 CYS 34 -0.578 9.595 -27.242 179 HB3 CYS 34 HB3 CYS 34 -0.443 11.273 -27.759 180 H ASN 35 H ASN 35 -3.103 11.312 -24.473 181 HA ASN 35 HA ASN 35 -4.034 10.184 -22.729 182 HB2 ASN 35 HB2 ASN 35 -5.403 9.232 -24.801 183 HB3 ASN 35 HB3 ASN 35 -4.558 7.748 -24.369 184 HD21 ASN 35 HD21 ASN 35 -5.068 6.698 -22.487 185 HD22 ASN 35 HD22 ASN 35 -6.433 7.117 -21.515 186 H GLU 36 H GLU 36 -1.493 10.165 -22.476 187 HA GLU 36 HA GLU 36 -0.843 7.482 -21.548 188 HB2 GLU 36 HB2 GLU 36 0.787 9.016 -23.562 189 HB3 GLU 36 HB3 GLU 36 1.505 7.782 -22.535 190 HG2 GLU 36 HG2 GLU 36 -0.719 6.534 -23.582 191 HG3 GLU 36 HG3 GLU 36 -0.115 7.506 -24.923 192 H ASP 37 H ASP 37 0.840 7.434 -19.970 193 HA ASP 37 HA ASP 37 1.100 9.983 -18.553 194 HB2 ASP 37 HB2 ASP 37 1.863 8.536 -16.647 195 HB3 ASP 37 HB3 ASP 37 0.218 8.218 -17.189 196 H PHE 38 H PHE 38 3.051 10.884 -18.015 197 HA PHE 38 HA PHE 38 5.522 9.509 -18.659 198 HB2 PHE 38 HB2 PHE 38 4.816 12.123 -20.008 199 HB3 PHE 38 HB3 PHE 38 6.344 11.261 -20.151 200 HD1 PHE 38 HD1 PHE 38 6.290 8.921 -21.166 201 HD2 PHE 38 HD2 PHE 38 3.066 11.684 -21.470 202 HE1 PHE 38 HE1 PHE 38 5.405 7.671 -23.092 203 HE2 PHE 38 HE2 PHE 38 2.175 10.437 -23.396 204 HZ PHE 38 HZ PHE 38 3.345 8.428 -24.208 205 H CYS 39 H CYS 39 7.202 10.171 -17.418 206 HA CYS 39 HA CYS 39 6.803 11.529 -15.060 207 HB2 CYS 39 HB2 CYS 39 9.147 11.494 -14.751 208 HB3 CYS 39 HB3 CYS 39 8.794 10.087 -15.749 209 H SER 40 H SER 40 7.564 13.603 -14.306 210 HA SER 40 HA SER 40 6.611 15.762 -15.750 211 HB2 SER 40 HB2 SER 40 7.435 17.127 -14.038 212 HB3 SER 40 HB3 SER 40 7.258 15.566 -13.238 213 HG SER 40 HG SER 40 9.271 16.137 -12.712 214 H ASN 41 H ASN 41 9.837 14.371 -15.683 215 HA ASN 41 HA ASN 41 11.218 16.424 -16.999 216 HB2 ASN 41 HB2 ASN 41 11.804 13.839 -16.052 217 HB3 ASN 41 HB3 ASN 41 12.225 13.829 -17.762 218 HD21 ASN 41 HD21 ASN 41 12.776 15.436 -14.696 219 HD22 ASN 41 HD22 ASN 41 14.318 16.099 -15.107 220 H HIS 42 H HIS 42 9.075 13.958 -18.183 221 HA HIS 42 HA HIS 42 9.592 14.864 -20.939 222 HB2 HIS 42 HB2 HIS 42 8.760 12.158 -19.898 223 HB3 HIS 42 HB3 HIS 42 8.587 12.611 -21.591 224 HD2 HIS 42 HD2 HIS 42 11.338 13.660 -22.520 225 HE1 HIS 42 HE1 HIS 42 13.159 10.518 -20.326 226 HE2 HIS 42 HE2 HIS 42 13.471 12.248 -22.132 227 H ARG 43 H ARG 43 7.709 15.831 -18.773 228 HA ARG 43 HA ARG 43 5.070 15.153 -19.329 229 HB2 ARG 43 HB2 ARG 43 4.453 17.249 -18.279 230 HB3 ARG 43 HB3 ARG 43 5.790 16.520 -17.399 231 HG2 ARG 43 HG2 ARG 43 7.336 18.032 -18.641 232 HG3 ARG 43 HG3 ARG 43 5.916 18.835 -19.315 233 HD2 ARG 43 HD2 ARG 43 5.156 19.248 -16.958 234 HD3 ARG 43 HD3 ARG 43 6.725 18.651 -16.419 235 HE ARG 43 HE ARG 43 6.156 21.207 -17.616 236 HH11 ARG 43 HH11 ARG 43 8.600 18.814 -16.968 237 HH12 ARG 43 HH12 ARG 43 9.914 19.938 -17.075 238 HH21 ARG 43 HH21 ARG 43 7.877 22.697 -17.758 239 HH22 ARG 43 HH22 ARG 43 9.501 22.146 -17.523 240 H LEU 44 H LEU 44 7.218 17.432 -20.933 241 HA LEU 44 HA LEU 44 5.434 18.851 -22.488 242 HB2 LEU 44 HB2 LEU 44 8.097 17.843 -23.465 243 HB3 LEU 44 HB3 LEU 44 7.242 19.296 -23.981 244 HG LEU 44 HG LEU 44 8.503 18.849 -21.275 245 HD11 LEU 44 HD11 LEU 44 9.342 20.415 -23.698 246 HD12 LEU 44 HD12 LEU 44 10.243 19.174 -22.827 247 HD13 LEU 44 HD13 LEU 44 9.969 20.749 -22.083 248 HD21 LEU 44 HD21 LEU 44 7.225 20.507 -20.546 249 HD22 LEU 44 HD22 LEU 44 6.460 20.653 -22.128 250 HD23 LEU 44 HD23 LEU 44 7.927 21.565 -21.770 251 H LYS 45 H LYS 45 5.197 18.629 -24.924 252 HA LYS 45 HA LYS 45 3.930 16.120 -25.471 253 HB2 LYS 45 HB2 LYS 45 3.999 18.774 -26.636 254 HB3 LYS 45 HB3 LYS 45 4.116 17.533 -27.877 255 HG2 LYS 45 HG2 LYS 45 2.046 16.600 -27.296 256 HG3 LYS 45 HG3 LYS 45 2.001 17.452 -25.751 257 HD2 LYS 45 HD2 LYS 45 0.691 18.926 -26.816 258 HD3 LYS 45 HD3 LYS 45 2.189 19.513 -27.542 259 HE2 LYS 45 HE2 LYS 45 1.473 18.911 -29.555 260 HE3 LYS 45 HE3 LYS 45 1.286 17.244 -29.012 261 HZ1 LYS 45 HZ1 LYS 45 -0.877 17.547 -29.332 262 HZ2 LYS 45 HZ2 LYS 45 -0.714 19.221 -29.509 263 HZ3 LYS 45 HZ3 LYS 45 -0.875 18.546 -27.967 264 H GLU 46 H GLU 46 6.509 17.871 -27.214 265 HA GLU 46 HA GLU 46 7.284 15.787 -28.873 266 HB2 GLU 46 HB2 GLU 46 9.413 16.985 -29.132 267 HB3 GLU 46 HB3 GLU 46 8.039 18.080 -29.210 268 HG2 GLU 46 HG2 GLU 46 9.227 19.318 -27.784 269 HG3 GLU 46 HG3 GLU 46 8.632 18.187 -26.570 270 H ASP 47 H ASP 47 8.057 16.394 -25.530 271 HA ASP 47 HA ASP 47 10.325 14.888 -25.138 272 HB2 ASP 47 HB2 ASP 47 7.972 15.568 -23.444 273 HB3 ASP 47 HB3 ASP 47 9.054 14.305 -22.863 274 H HIS 48 H HIS 48 6.963 13.716 -24.968 275 HA HIS 48 HA HIS 48 7.948 10.962 -25.068 276 HB2 HIS 48 HB2 HIS 48 5.659 10.319 -24.474 277 HB3 HIS 48 HB3 HIS 48 6.292 11.504 -23.336 278 HD1 HIS 48 HD1 HIS 48 5.001 13.645 -23.067 279 HD2 HIS 48 HD2 HIS 48 3.708 11.389 -26.307 280 HE1 HIS 48 HE1 HIS 48 2.900 14.768 -23.872 281 H HIS 49 H HIS 49 7.795 12.955 -27.358 282 HA HIS 49 HA HIS 49 7.192 13.021 -29.559 283 HB2 HIS 49 HB2 HIS 49 7.249 10.020 -29.178 284 HB3 HIS 49 HB3 HIS 49 7.311 10.852 -30.728 285 HD1 HIS 49 HD1 HIS 49 9.535 12.002 -31.369 286 HD2 HIS 49 HD2 HIS 49 9.634 10.029 -27.714 287 HE1 HIS 49 HE1 HIS 49 11.967 11.870 -30.742 288 H CYS 50 H CYS 50 5.041 13.700 -28.271 289 HA CYS 50 HA CYS 50 2.777 12.125 -28.262 290 HB2 CYS 50 HB2 CYS 50 3.102 14.534 -27.414 291 HB3 CYS 50 HB3 CYS 50 2.689 15.029 -29.052 292 H ARG 51 H ARG 51 1.509 11.249 -29.766 293 HA ARG 51 HA ARG 51 2.171 11.112 -32.447 294 HB2 ARG 51 HB2 ARG 51 -0.245 10.371 -32.763 295 HB3 ARG 51 HB3 ARG 51 0.713 9.460 -31.603 296 HG2 ARG 51 HG2 ARG 51 -0.723 9.906 -29.979 297 HG3 ARG 51 HG3 ARG 51 -0.616 11.640 -30.292 298 HD2 ARG 51 HD2 ARG 51 -2.905 10.904 -30.539 299 HD3 ARG 51 HD3 ARG 51 -2.262 11.386 -32.108 300 HE ARG 51 HE ARG 51 -2.528 9.234 -32.837 301 HH11 ARG 51 HH11 ARG 51 -2.700 9.288 -29.360 302 HH12 ARG 51 HH12 ARG 51 -3.183 7.629 -29.228 303 HH21 ARG 51 HH21 ARG 51 -3.164 7.049 -32.676 304 HH22 ARG 51 HH22 ARG 51 -3.446 6.356 -31.114 305 H TRP 52 H TRP 52 0.094 13.404 -30.780 306 HA TRP 52 HA TRP 52 -1.116 14.594 -33.007 307 HB2 TRP 52 HB2 TRP 52 -1.684 14.927 -30.544 308 HB3 TRP 52 HB3 TRP 52 -0.347 16.073 -30.492 309 HD1 TRP 52 HD1 TRP 52 -3.932 15.717 -31.655 310 HE1 TRP 52 HE1 TRP 52 -4.773 17.991 -32.518 311 HE3 TRP 52 HE3 TRP 52 0.501 18.263 -31.684 312 HZ2 TRP 52 HZ2 TRP 52 -3.699 20.529 -33.131 313 HZ3 TRP 52 HZ3 TRP 52 0.508 20.610 -32.423 314 HH2 TRP 52 HH2 TRP 52 -1.549 21.717 -33.132 315 H LEU 53 H LEU 53 1.968 15.248 -31.415 316 HA LEU 53 HA LEU 53 2.627 17.577 -32.856 317 HB2 LEU 53 HB2 LEU 53 3.921 15.765 -31.012 318 HB3 LEU 53 HB3 LEU 53 5.029 16.291 -32.278 319 HG LEU 53 HG LEU 53 3.509 18.072 -30.375 320 HD11 LEU 53 HD11 LEU 53 5.512 18.436 -29.261 321 HD12 LEU 53 HD12 LEU 53 6.483 17.810 -30.592 322 HD13 LEU 53 HD13 LEU 53 5.547 16.704 -29.588 323 HD21 LEU 53 HD21 LEU 53 5.215 18.650 -32.768 324 HD22 LEU 53 HD22 LEU 53 5.113 19.796 -31.431 325 HD23 LEU 53 HD23 LEU 53 3.656 19.340 -32.316 326 H LEU 54 H LEU 54 3.086 14.158 -33.534 327 HA LEU 54 HA LEU 54 4.780 14.542 -35.795 328 HB2 LEU 54 HB2 LEU 54 3.050 12.132 -35.427 329 HB3 LEU 54 HB3 LEU 54 4.675 12.244 -36.100 330 HG LEU 54 HG LEU 54 3.918 12.437 -33.186 331 HD11 LEU 54 HD11 LEU 54 5.774 10.413 -33.597 332 HD12 LEU 54 HD12 LEU 54 4.630 10.246 -34.928 333 HD13 LEU 54 HD13 LEU 54 4.053 10.222 -33.261 334 HD21 LEU 54 HD21 LEU 54 6.559 12.225 -33.115 335 HD22 LEU 54 HD22 LEU 54 5.750 13.790 -33.197 336 HD23 LEU 54 HD23 LEU 54 6.417 13.064 -34.660 337 H GLU 55 H GLU 55 1.350 13.603 -35.506 338 HA GLU 55 HA GLU 55 0.783 13.685 -38.252 339 HB2 GLU 55 HB2 GLU 55 -1.555 13.694 -37.612 340 HB3 GLU 55 HB3 GLU 55 -0.662 12.594 -36.570 341 HG2 GLU 55 HG2 GLU 55 -0.535 14.535 -34.921 342 HG3 GLU 55 HG3 GLU 55 -1.774 15.298 -35.915 343 H HIS 56 H HIS 56 0.734 16.180 -35.778 344 HA HIS 56 HA HIS 56 0.234 18.169 -37.892 345 HB2 HIS 56 HB2 HIS 56 -1.054 17.827 -35.249 346 HB3 HIS 56 HB3 HIS 56 -0.632 19.479 -35.690 347 HD1 HIS 56 HD1 HIS 56 -1.655 20.284 -38.077 348 HD2 HIS 56 HD2 HIS 56 -3.384 16.935 -36.329 349 HE1 HIS 56 HE1 HIS 56 -3.881 20.006 -39.214 350 H GLU 57 H GLU 57 2.556 18.280 -38.087 351 HA GLU 57 HA GLU 57 4.107 19.204 -35.837 352 HB2 GLU 57 HB2 GLU 57 4.633 18.238 -38.540 353 HB3 GLU 57 HB3 GLU 57 5.649 19.605 -38.102 354 HG2 GLU 57 HG2 GLU 57 5.735 17.967 -35.875 355 HG3 GLU 57 HG3 GLU 57 5.774 16.849 -37.238 356 H GLU 58 H GLU 58 3.084 21.157 -35.277 357 HA GLU 58 HA GLU 58 2.440 23.265 -36.944 358 HB2 GLU 58 HB2 GLU 58 2.656 24.710 -34.965 359 HB3 GLU 58 HB3 GLU 58 1.802 23.218 -34.596 360 HG2 GLU 58 HG2 GLU 58 3.446 22.442 -33.242 361 HG3 GLU 58 HG3 GLU 58 4.726 23.251 -34.144 362 H VAL 59 H VAL 59 3.507 25.176 -37.557 363 HA VAL 59 HA VAL 59 6.444 25.111 -37.369 364 HB VAL 59 HB VAL 59 5.746 24.339 -39.607 365 HG11 VAL 59 HG11 VAL 59 4.589 25.769 -41.137 366 HG12 VAL 59 HG12 VAL 59 3.627 25.661 -39.661 367 HG13 VAL 59 HG13 VAL 59 4.596 27.100 -39.981 368 HG21 VAL 59 HG21 VAL 59 7.842 25.670 -39.190 369 HG22 VAL 59 HG22 VAL 59 7.241 25.709 -40.847 370 HG23 VAL 59 HG23 VAL 59 6.970 27.085 -39.779 Start of MODEL 13 1 H MET 11 H MET 11 1.884 -2.903 -0.571 2 HA MET 11 HA MET 11 2.990 -1.105 -2.422 3 HB2 MET 11 HB2 MET 11 2.733 -4.087 -2.299 4 HB3 MET 11 HB3 MET 11 3.334 -3.328 -3.767 5 HG2 MET 11 HG2 MET 11 5.268 -3.816 -2.614 6 HG3 MET 11 HG3 MET 11 4.988 -2.125 -2.205 7 HE1 MET 11 HE1 MET 11 6.038 -2.528 1.287 8 HE2 MET 11 HE2 MET 11 6.473 -2.048 -0.353 9 HE3 MET 11 HE3 MET 11 5.057 -1.341 0.427 10 H LEU 12 H LEU 12 0.777 -0.043 -2.789 11 HA LEU 12 HA LEU 12 -0.248 -1.049 -5.335 12 HB2 LEU 12 HB2 LEU 12 -2.576 -0.315 -4.460 13 HB3 LEU 12 HB3 LEU 12 -1.944 -1.907 -4.043 14 HG LEU 12 HG LEU 12 -1.422 0.290 -2.123 15 HD11 LEU 12 HD11 LEU 12 -3.721 -0.262 -1.114 16 HD12 LEU 12 HD12 LEU 12 -4.146 -0.793 -2.741 17 HD13 LEU 12 HD13 LEU 12 -3.647 0.875 -2.460 18 HD21 LEU 12 HD21 LEU 12 -2.555 -2.216 -1.183 19 HD22 LEU 12 HD22 LEU 12 -1.048 -1.416 -0.736 20 HD23 LEU 12 HD23 LEU 12 -1.109 -2.449 -2.165 21 H ASP 13 H ASP 13 0.059 0.541 -6.734 22 HA ASP 13 HA ASP 13 0.178 2.607 -7.679 23 HB2 ASP 13 HB2 ASP 13 -1.741 3.535 -5.545 24 HB3 ASP 13 HB3 ASP 13 -1.552 4.159 -7.182 25 H VAL 14 H VAL 14 2.309 3.066 -7.178 26 HA VAL 14 HA VAL 14 2.675 4.966 -4.959 27 HB VAL 14 HB VAL 14 3.641 2.667 -4.479 28 HG11 VAL 14 HG11 VAL 14 6.020 3.285 -6.086 29 HG12 VAL 14 HG12 VAL 14 5.236 1.738 -5.762 30 HG13 VAL 14 HG13 VAL 14 4.600 2.805 -7.014 31 HG21 VAL 14 HG21 VAL 14 6.047 4.056 -4.190 32 HG22 VAL 14 HG22 VAL 14 4.787 5.290 -4.137 33 HG23 VAL 14 HG23 VAL 14 4.740 3.932 -3.013 34 H GLY 15 H GLY 15 2.237 5.286 -7.886 35 HA2 GLY 15 HA2 GLY 15 3.147 7.343 -8.904 36 HA3 GLY 15 HA3 GLY 15 4.743 6.732 -8.492 37 H LYS 16 H LYS 16 3.670 7.520 -11.096 38 HA LYS 16 HA LYS 16 3.681 4.948 -12.517 39 HB2 LYS 16 HB2 LYS 16 2.204 7.359 -12.865 40 HB3 LYS 16 HB3 LYS 16 3.217 7.137 -14.285 41 HG2 LYS 16 HG2 LYS 16 1.754 5.684 -15.077 42 HG3 LYS 16 HG3 LYS 16 2.069 4.630 -13.696 43 HD2 LYS 16 HD2 LYS 16 0.382 5.950 -12.406 44 HD3 LYS 16 HD3 LYS 16 -0.007 6.809 -13.899 45 HE2 LYS 16 HE2 LYS 16 -0.231 3.832 -13.464 46 HE3 LYS 16 HE3 LYS 16 -1.573 4.974 -13.467 47 HZ1 LYS 16 HZ1 LYS 16 -1.710 4.672 -15.642 48 HZ2 LYS 16 HZ2 LYS 16 -0.321 3.707 -15.660 49 HZ3 LYS 16 HZ3 LYS 16 -0.187 5.385 -15.827 50 H HIS 17 H HIS 17 5.278 4.408 -13.906 51 HA HIS 17 HA HIS 17 7.656 6.076 -13.908 52 HB2 HIS 17 HB2 HIS 17 7.327 3.397 -15.255 53 HB3 HIS 17 HB3 HIS 17 8.821 4.173 -14.739 54 HD1 HIS 17 HD1 HIS 17 5.714 2.607 -13.233 55 HD2 HIS 17 HD2 HIS 17 9.654 3.473 -12.242 56 HE1 HIS 17 HE1 HIS 17 6.095 1.535 -10.990 57 H CYS 18 H CYS 18 8.530 7.085 -15.654 58 HA CYS 18 HA CYS 18 6.930 8.011 -17.701 59 HB2 CYS 18 HB2 CYS 18 9.211 8.875 -16.952 60 HB3 CYS 18 HB3 CYS 18 9.910 7.638 -17.991 61 H ALA 19 H ALA 19 6.721 7.521 -19.903 62 HA ALA 19 HA ALA 19 7.162 4.690 -20.525 63 HB1 ALA 19 HB1 ALA 19 5.089 4.790 -21.306 64 HB2 ALA 19 HB2 ALA 19 5.032 6.531 -21.031 65 HB3 ALA 19 HB3 ALA 19 5.641 5.899 -22.561 66 H TYR 20 H TYR 20 9.072 7.120 -20.751 67 HA TYR 20 HA TYR 20 9.983 6.468 -23.471 68 HB2 TYR 20 HB2 TYR 20 8.900 8.745 -23.331 69 HB3 TYR 20 HB3 TYR 20 10.196 9.219 -22.240 70 HD1 TYR 20 HD1 TYR 20 12.281 9.921 -23.077 71 HD2 TYR 20 HD2 TYR 20 9.503 8.026 -25.683 72 HE1 TYR 20 HE1 TYR 20 13.691 10.515 -25.003 73 HE2 TYR 20 HE2 TYR 20 10.906 8.614 -27.616 74 HH TYR 20 HH TYR 20 12.612 10.225 -28.229 75 H CYS 21 H CYS 21 10.828 7.636 -20.247 76 HA CYS 21 HA CYS 21 13.594 6.732 -20.718 77 HB2 CYS 21 HB2 CYS 21 14.403 8.416 -19.293 78 HB3 CYS 21 HB3 CYS 21 13.159 9.222 -20.243 79 H ARG 22 H ARG 22 10.738 6.202 -18.988 80 HA ARG 22 HA ARG 22 10.158 4.750 -17.337 81 HB2 ARG 22 HB2 ARG 22 12.934 3.620 -17.730 82 HB3 ARG 22 HB3 ARG 22 11.586 2.819 -16.934 83 HG2 ARG 22 HG2 ARG 22 11.225 3.721 -19.741 84 HG3 ARG 22 HG3 ARG 22 12.225 2.300 -19.433 85 HD2 ARG 22 HD2 ARG 22 9.442 2.629 -18.336 86 HD3 ARG 22 HD3 ARG 22 9.782 1.856 -19.883 87 HE ARG 22 HE ARG 22 11.378 0.571 -18.053 88 HH11 ARG 22 HH11 ARG 22 7.966 1.133 -18.457 89 HH12 ARG 22 HH12 ARG 22 7.498 -0.340 -17.674 90 HH21 ARG 22 HH21 ARG 22 10.774 -1.371 -17.019 91 HH22 ARG 22 HH22 ARG 22 9.096 -1.763 -16.855 92 H GLN 23 H GLN 23 10.426 6.897 -16.127 93 HA GLN 23 HA GLN 23 12.402 6.537 -13.971 94 HB2 GLN 23 HB2 GLN 23 12.991 8.514 -15.171 95 HB3 GLN 23 HB3 GLN 23 11.322 9.069 -15.204 96 HG2 GLN 23 HG2 GLN 23 11.356 9.724 -12.989 97 HG3 GLN 23 HG3 GLN 23 12.720 8.679 -12.595 98 HE21 GLN 23 HE21 GLN 23 14.279 9.982 -11.925 99 HE22 GLN 23 HE22 GLN 23 14.855 11.380 -12.761 100 H LEU 24 H LEU 24 11.510 5.976 -12.109 101 HA LEU 24 HA LEU 24 8.730 5.999 -11.632 102 HB2 LEU 24 HB2 LEU 24 10.137 4.398 -10.536 103 HB3 LEU 24 HB3 LEU 24 11.074 5.678 -9.768 104 HG LEU 24 HG LEU 24 9.128 6.275 -8.401 105 HD11 LEU 24 HD11 LEU 24 7.570 3.900 -8.859 106 HD12 LEU 24 HD12 LEU 24 7.698 4.858 -10.334 107 HD13 LEU 24 HD13 LEU 24 7.068 5.590 -8.858 108 HD21 LEU 24 HD21 LEU 24 10.204 3.486 -8.357 109 HD22 LEU 24 HD22 LEU 24 8.981 3.984 -7.187 110 HD23 LEU 24 HD23 LEU 24 10.527 4.831 -7.262 111 H ASP 25 H ASP 25 7.596 7.822 -11.463 112 HA ASP 25 HA ASP 25 8.667 9.969 -9.750 113 HB2 ASP 25 HB2 ASP 25 7.422 11.573 -11.099 114 HB3 ASP 25 HB3 ASP 25 8.500 10.629 -12.125 115 H PHE 26 H PHE 26 7.096 11.202 -8.537 116 HA PHE 26 HA PHE 26 5.008 9.490 -7.482 117 HB2 PHE 26 HB2 PHE 26 5.706 12.289 -6.591 118 HB3 PHE 26 HB3 PHE 26 4.847 11.053 -5.678 119 HD1 PHE 26 HD1 PHE 26 8.128 12.086 -6.980 120 HD2 PHE 26 HD2 PHE 26 6.014 9.363 -4.482 121 HE1 PHE 26 HE1 PHE 26 10.256 11.342 -5.995 122 HE2 PHE 26 HE2 PHE 26 8.140 8.616 -3.493 123 HZ PHE 26 HZ PHE 26 10.264 9.605 -4.250 124 H LEU 27 H LEU 27 5.295 12.575 -9.172 125 HA LEU 27 HA LEU 27 2.366 12.641 -9.456 126 HB2 LEU 27 HB2 LEU 27 4.368 14.679 -8.961 127 HB3 LEU 27 HB3 LEU 27 3.358 15.073 -10.351 128 HG LEU 27 HG LEU 27 2.145 14.313 -7.713 129 HD11 LEU 27 HD11 LEU 27 2.929 16.159 -6.769 130 HD12 LEU 27 HD12 LEU 27 2.037 17.095 -7.968 131 HD13 LEU 27 HD13 LEU 27 3.717 16.653 -8.267 132 HD21 LEU 27 HD21 LEU 27 0.993 16.278 -9.615 133 HD22 LEU 27 HD22 LEU 27 0.192 15.093 -8.584 134 HD23 LEU 27 HD23 LEU 27 0.973 14.576 -10.079 135 HA PRO 28 HA PRO 28 3.875 11.443 -13.634 136 HB2 PRO 28 HB2 PRO 28 1.725 9.880 -14.189 137 HB3 PRO 28 HB3 PRO 28 3.132 9.295 -13.292 138 HG2 PRO 28 HG2 PRO 28 0.484 10.236 -12.260 139 HG3 PRO 28 HG3 PRO 28 1.450 8.839 -11.752 140 HD2 PRO 28 HD2 PRO 28 1.413 11.166 -10.368 141 HD3 PRO 28 HD3 PRO 28 2.848 10.122 -10.444 142 H PHE 29 H PHE 29 3.487 12.718 -15.326 143 HA PHE 29 HA PHE 29 1.156 14.431 -15.342 144 HB2 PHE 29 HB2 PHE 29 3.695 14.276 -16.917 145 HB3 PHE 29 HB3 PHE 29 2.331 15.168 -17.583 146 HD1 PHE 29 HD1 PHE 29 1.686 17.278 -16.703 147 HD2 PHE 29 HD2 PHE 29 4.730 14.991 -14.800 148 HE1 PHE 29 HE1 PHE 29 2.303 19.235 -15.345 149 HE2 PHE 29 HE2 PHE 29 5.351 16.944 -13.438 150 HZ PHE 29 HZ PHE 29 4.136 19.069 -13.709 151 H HIS 30 H HIS 30 -0.692 13.548 -16.023 152 HA HIS 30 HA HIS 30 -0.734 11.495 -18.053 153 HB2 HIS 30 HB2 HIS 30 -2.301 11.277 -16.242 154 HB3 HIS 30 HB3 HIS 30 -2.933 12.896 -16.526 155 HD1 HIS 30 HD1 HIS 30 -3.319 9.385 -17.557 156 HD2 HIS 30 HD2 HIS 30 -4.545 13.122 -18.894 157 HE1 HIS 30 HE1 HIS 30 -5.169 8.937 -19.200 158 H CYS 31 H CYS 31 -0.828 11.858 -20.161 159 HA CYS 31 HA CYS 31 -1.346 14.533 -21.151 160 HB2 CYS 31 HB2 CYS 31 0.393 12.634 -21.956 161 HB3 CYS 31 HB3 CYS 31 -0.940 12.298 -23.056 162 H SER 32 H SER 32 -3.174 15.220 -22.073 163 HA SER 32 HA SER 32 -5.405 13.348 -22.257 164 HB2 SER 32 HB2 SER 32 -5.302 15.864 -21.259 165 HB3 SER 32 HB3 SER 32 -5.838 16.205 -22.904 166 HG SER 32 HG SER 32 -7.690 15.222 -22.523 167 H PHE 33 H PHE 33 -3.100 13.650 -24.233 168 HA PHE 33 HA PHE 33 -4.754 14.063 -26.637 169 HB2 PHE 33 HB2 PHE 33 -1.755 14.323 -26.595 170 HB3 PHE 33 HB3 PHE 33 -2.890 14.922 -27.801 171 HD1 PHE 33 HD1 PHE 33 -4.882 16.265 -26.102 172 HD2 PHE 33 HD2 PHE 33 -0.633 16.212 -25.861 173 HE1 PHE 33 HE1 PHE 33 -4.922 18.452 -24.976 174 HE2 PHE 33 HE2 PHE 33 -0.666 18.399 -24.734 175 HZ PHE 33 HZ PHE 33 -2.812 19.523 -24.291 176 H CYS 34 H CYS 34 -2.000 12.248 -25.318 177 HA CYS 34 HA CYS 34 -2.509 10.139 -27.302 178 HB2 CYS 34 HB2 CYS 34 -0.244 9.343 -26.805 179 HB3 CYS 34 HB3 CYS 34 -0.224 11.033 -27.297 180 H ASN 35 H ASN 35 -2.821 10.922 -24.007 181 HA ASN 35 HA ASN 35 -3.654 9.770 -22.229 182 HB2 ASN 35 HB2 ASN 35 -5.015 8.720 -24.256 183 HB3 ASN 35 HB3 ASN 35 -4.082 7.289 -23.829 184 HD21 ASN 35 HD21 ASN 35 -5.450 6.001 -22.808 185 HD22 ASN 35 HD22 ASN 35 -6.443 6.449 -21.467 186 H GLU 36 H GLU 36 -1.112 9.888 -22.027 187 HA GLU 36 HA GLU 36 -0.299 7.252 -21.090 188 HB2 GLU 36 HB2 GLU 36 1.211 8.864 -23.137 189 HB3 GLU 36 HB3 GLU 36 2.011 7.675 -22.118 190 HG2 GLU 36 HG2 GLU 36 -0.160 6.306 -23.126 191 HG3 GLU 36 HG3 GLU 36 0.373 7.303 -24.479 192 H ASP 37 H ASP 37 1.428 7.312 -19.551 193 HA ASP 37 HA ASP 37 1.553 9.875 -18.142 194 HB2 ASP 37 HB2 ASP 37 1.898 7.017 -17.327 195 HB3 ASP 37 HB3 ASP 37 2.663 8.279 -16.365 196 H PHE 38 H PHE 38 3.454 10.900 -17.646 197 HA PHE 38 HA PHE 38 5.992 9.687 -18.357 198 HB2 PHE 38 HB2 PHE 38 5.104 12.272 -19.653 199 HB3 PHE 38 HB3 PHE 38 6.666 11.487 -19.857 200 HD1 PHE 38 HD1 PHE 38 6.721 9.198 -20.941 201 HD2 PHE 38 HD2 PHE 38 3.300 11.728 -21.025 202 HE1 PHE 38 HE1 PHE 38 5.835 7.930 -22.854 203 HE2 PHE 38 HE2 PHE 38 2.407 10.463 -22.938 204 HZ PHE 38 HZ PHE 38 3.675 8.561 -23.854 205 H CYS 39 H CYS 39 7.644 10.422 -17.128 206 HA CYS 39 HA CYS 39 7.215 11.745 -14.756 207 HB2 CYS 39 HB2 CYS 39 9.567 11.847 -14.493 208 HB3 CYS 39 HB3 CYS 39 9.266 10.417 -15.476 209 H SER 40 H SER 40 7.980 13.853 -14.012 210 HA SER 40 HA SER 40 6.838 15.974 -15.375 211 HB2 SER 40 HB2 SER 40 7.566 17.295 -13.642 212 HB3 SER 40 HB3 SER 40 7.804 15.712 -12.902 213 HG SER 40 HG SER 40 9.657 17.575 -13.725 214 H ASN 41 H ASN 41 10.114 14.720 -15.534 215 HA ASN 41 HA ASN 41 11.298 16.850 -16.935 216 HB2 ASN 41 HB2 ASN 41 12.087 14.304 -16.007 217 HB3 ASN 41 HB3 ASN 41 12.433 14.328 -17.734 218 HD21 ASN 41 HD21 ASN 41 12.934 16.087 -14.724 219 HD22 ASN 41 HD22 ASN 41 14.439 16.801 -15.181 220 H HIS 42 H HIS 42 9.243 14.243 -17.959 221 HA HIS 42 HA HIS 42 9.531 15.147 -20.749 222 HB2 HIS 42 HB2 HIS 42 8.959 12.394 -19.653 223 HB3 HIS 42 HB3 HIS 42 8.684 12.822 -21.339 224 HD2 HIS 42 HD2 HIS 42 11.264 13.948 -22.488 225 HE1 HIS 42 HE1 HIS 42 13.480 11.161 -20.182 226 HE2 HIS 42 HE2 HIS 42 13.533 12.759 -22.130 227 H ARG 43 H ARG 43 7.715 15.991 -18.480 228 HA ARG 43 HA ARG 43 5.105 15.097 -18.897 229 HB2 ARG 43 HB2 ARG 43 4.393 17.173 -17.812 230 HB3 ARG 43 HB3 ARG 43 5.758 16.455 -16.967 231 HG2 ARG 43 HG2 ARG 43 7.195 18.058 -18.380 232 HG3 ARG 43 HG3 ARG 43 5.678 18.912 -18.668 233 HD2 ARG 43 HD2 ARG 43 6.276 18.199 -15.864 234 HD3 ARG 43 HD3 ARG 43 7.304 19.431 -16.594 235 HE ARG 43 HE ARG 43 4.530 19.934 -17.040 236 HH11 ARG 43 HH11 ARG 43 7.102 20.228 -14.713 237 HH12 ARG 43 HH12 ARG 43 6.379 21.569 -13.888 238 HH21 ARG 43 HH21 ARG 43 3.567 21.700 -15.963 239 HH22 ARG 43 HH22 ARG 43 4.368 22.405 -14.600 240 H LEU 44 H LEU 44 6.951 17.630 -20.516 241 HA LEU 44 HA LEU 44 4.967 18.884 -21.963 242 HB2 LEU 44 HB2 LEU 44 7.692 18.204 -23.046 243 HB3 LEU 44 HB3 LEU 44 6.660 19.554 -23.515 244 HG LEU 44 HG LEU 44 8.024 19.224 -20.843 245 HD11 LEU 44 HD11 LEU 44 9.682 20.604 -21.552 246 HD12 LEU 44 HD12 LEU 44 8.648 21.437 -22.711 247 HD13 LEU 44 HD13 LEU 44 9.293 19.842 -23.094 248 HD21 LEU 44 HD21 LEU 44 6.575 21.638 -21.902 249 HD22 LEU 44 HD22 LEU 44 7.177 21.354 -20.268 250 HD23 LEU 44 HD23 LEU 44 5.802 20.430 -20.875 251 H LYS 45 H LYS 45 4.543 18.700 -24.334 252 HA LYS 45 HA LYS 45 3.583 16.084 -24.933 253 HB2 LYS 45 HB2 LYS 45 3.238 18.750 -25.951 254 HB3 LYS 45 HB3 LYS 45 3.549 17.648 -27.286 255 HG2 LYS 45 HG2 LYS 45 1.729 16.228 -25.878 256 HG3 LYS 45 HG3 LYS 45 1.210 17.879 -25.530 257 HD2 LYS 45 HD2 LYS 45 1.808 17.000 -28.335 258 HD3 LYS 45 HD3 LYS 45 0.233 16.691 -27.599 259 HE2 LYS 45 HE2 LYS 45 1.078 19.421 -27.172 260 HE3 LYS 45 HE3 LYS 45 1.064 19.018 -28.889 261 HZ1 LYS 45 HZ1 LYS 45 -1.128 19.443 -27.114 262 HZ2 LYS 45 HZ2 LYS 45 -1.258 17.956 -27.908 263 HZ3 LYS 45 HZ3 LYS 45 -1.111 19.383 -28.804 264 H GLU 46 H GLU 46 5.868 18.164 -26.725 265 HA GLU 46 HA GLU 46 6.792 16.200 -28.469 266 HB2 GLU 46 HB2 GLU 46 8.558 17.683 -29.021 267 HB3 GLU 46 HB3 GLU 46 7.182 18.697 -28.609 268 HG2 GLU 46 HG2 GLU 46 8.315 18.606 -26.215 269 HG3 GLU 46 HG3 GLU 46 9.753 18.315 -27.192 270 H ASP 47 H ASP 47 7.644 16.871 -25.163 271 HA ASP 47 HA ASP 47 10.115 15.693 -24.902 272 HB2 ASP 47 HB2 ASP 47 7.839 16.215 -23.127 273 HB3 ASP 47 HB3 ASP 47 8.839 14.859 -22.612 274 H HIS 48 H HIS 48 6.962 14.058 -24.599 275 HA HIS 48 HA HIS 48 8.306 11.469 -24.767 276 HB2 HIS 48 HB2 HIS 48 6.108 10.525 -24.175 277 HB3 HIS 48 HB3 HIS 48 6.635 11.732 -23.006 278 HD1 HIS 48 HD1 HIS 48 5.091 13.660 -22.587 279 HD2 HIS 48 HD2 HIS 48 4.034 11.480 -25.962 280 HE1 HIS 48 HE1 HIS 48 2.866 14.581 -23.312 281 H HIS 49 H HIS 49 7.874 13.423 -27.042 282 HA HIS 49 HA HIS 49 7.278 13.407 -29.243 283 HB2 HIS 49 HB2 HIS 49 7.819 10.498 -28.685 284 HB3 HIS 49 HB3 HIS 49 7.379 11.058 -30.296 285 HD1 HIS 49 HD1 HIS 49 9.275 11.752 -31.730 286 HD2 HIS 49 HD2 HIS 49 10.252 11.889 -27.694 287 HE1 HIS 49 HE1 HIS 49 11.718 12.342 -31.649 288 H CYS 50 H CYS 50 5.089 13.884 -27.894 289 HA CYS 50 HA CYS 50 2.971 12.113 -27.901 290 HB2 CYS 50 HB2 CYS 50 3.103 14.522 -26.990 291 HB3 CYS 50 HB3 CYS 50 2.608 15.016 -28.606 292 H ARG 51 H ARG 51 1.902 11.081 -29.446 293 HA ARG 51 HA ARG 51 2.503 11.196 -32.142 294 HB2 ARG 51 HB2 ARG 51 0.504 9.883 -32.521 295 HB3 ARG 51 HB3 ARG 51 1.288 9.342 -31.042 296 HG2 ARG 51 HG2 ARG 51 -0.348 10.893 -29.830 297 HG3 ARG 51 HG3 ARG 51 -1.236 10.923 -31.355 298 HD2 ARG 51 HD2 ARG 51 -0.424 8.298 -30.198 299 HD3 ARG 51 HD3 ARG 51 -1.797 9.153 -29.497 300 HE ARG 51 HE ARG 51 -1.709 7.805 -32.025 301 HH11 ARG 51 HH11 ARG 51 -3.231 10.363 -30.220 302 HH12 ARG 51 HH12 ARG 51 -4.685 10.339 -31.162 303 HH21 ARG 51 HH21 ARG 51 -3.618 7.764 -33.272 304 HH22 ARG 51 HH22 ARG 51 -4.904 8.860 -32.897 305 H TRP 52 H TRP 52 0.128 13.023 -30.309 306 HA TRP 52 HA TRP 52 -1.340 14.100 -32.431 307 HB2 TRP 52 HB2 TRP 52 -1.851 14.234 -29.938 308 HB3 TRP 52 HB3 TRP 52 -0.713 15.577 -29.876 309 HD1 TRP 52 HD1 TRP 52 -4.241 14.700 -30.927 310 HE1 TRP 52 HE1 TRP 52 -5.467 16.844 -31.650 311 HE3 TRP 52 HE3 TRP 52 -0.272 17.922 -30.993 312 HZ2 TRP 52 HZ2 TRP 52 -4.836 19.544 -32.180 313 HZ3 TRP 52 HZ3 TRP 52 -0.668 20.268 -31.620 314 HH2 TRP 52 HH2 TRP 52 -2.904 21.060 -32.201 315 H LEU 53 H LEU 53 1.626 15.239 -30.869 316 HA LEU 53 HA LEU 53 1.843 17.674 -32.262 317 HB2 LEU 53 HB2 LEU 53 3.469 16.075 -30.487 318 HB3 LEU 53 HB3 LEU 53 4.444 16.808 -31.759 319 HG LEU 53 HG LEU 53 2.683 18.263 -29.788 320 HD11 LEU 53 HD11 LEU 53 4.914 17.265 -29.033 321 HD12 LEU 53 HD12 LEU 53 4.639 18.981 -28.733 322 HD13 LEU 53 HD13 LEU 53 5.661 18.474 -30.078 323 HD21 LEU 53 HD21 LEU 53 4.371 20.060 -31.081 324 HD22 LEU 53 HD22 LEU 53 2.626 19.906 -31.284 325 HD23 LEU 53 HD23 LEU 53 3.720 19.043 -32.367 326 H LEU 54 H LEU 54 3.039 14.427 -32.985 327 HA LEU 54 HA LEU 54 4.484 15.202 -35.318 328 HB2 LEU 54 HB2 LEU 54 3.425 12.440 -34.881 329 HB3 LEU 54 HB3 LEU 54 4.940 12.947 -35.626 330 HG LEU 54 HG LEU 54 4.287 12.968 -32.680 331 HD11 LEU 54 HD11 LEU 54 5.108 10.883 -34.291 332 HD12 LEU 54 HD12 LEU 54 5.274 10.979 -32.538 333 HD13 LEU 54 HD13 LEU 54 6.608 11.477 -33.579 334 HD21 LEU 54 HD21 LEU 54 6.565 13.715 -32.338 335 HD22 LEU 54 HD22 LEU 54 5.696 14.877 -33.340 336 HD23 LEU 54 HD23 LEU 54 6.841 13.757 -34.079 337 H GLU 55 H GLU 55 1.224 14.046 -34.692 338 HA GLU 55 HA GLU 55 0.439 13.448 -37.302 339 HB2 GLU 55 HB2 GLU 55 -0.813 13.726 -34.758 340 HB3 GLU 55 HB3 GLU 55 -1.760 14.633 -35.929 341 HG2 GLU 55 HG2 GLU 55 -0.918 11.785 -36.368 342 HG3 GLU 55 HG3 GLU 55 -2.427 12.234 -35.576 343 H HIS 56 H HIS 56 0.612 16.519 -35.601 344 HA HIS 56 HA HIS 56 -0.271 17.889 -38.053 345 HB2 HIS 56 HB2 HIS 56 -0.396 18.693 -35.152 346 HB3 HIS 56 HB3 HIS 56 -0.574 19.871 -36.450 347 HD1 HIS 56 HD1 HIS 56 -2.739 19.746 -37.875 348 HD2 HIS 56 HD2 HIS 56 -2.584 17.010 -34.752 349 HE1 HIS 56 HE1 HIS 56 -5.080 18.858 -37.642 350 H GLU 57 H GLU 57 2.121 17.212 -38.538 351 HA GLU 57 HA GLU 57 4.083 19.023 -37.405 352 HB2 GLU 57 HB2 GLU 57 4.161 16.675 -39.245 353 HB3 GLU 57 HB3 GLU 57 5.493 17.822 -39.299 354 HG2 GLU 57 HG2 GLU 57 4.745 16.975 -36.601 355 HG3 GLU 57 HG3 GLU 57 5.336 15.678 -37.638 356 H GLU 58 H GLU 58 3.628 21.075 -38.080 357 HA GLU 58 HA GLU 58 3.518 21.536 -40.986 358 HB2 GLU 58 HB2 GLU 58 2.530 23.759 -40.362 359 HB3 GLU 58 HB3 GLU 58 1.536 22.369 -39.948 360 HG2 GLU 58 HG2 GLU 58 2.248 22.514 -37.636 361 HG3 GLU 58 HG3 GLU 58 3.312 23.863 -38.032 362 H VAL 59 H VAL 59 5.993 21.089 -40.297 363 HA VAL 59 HA VAL 59 7.244 23.717 -40.447 364 HB VAL 59 HB VAL 59 8.990 23.052 -38.783 365 HG11 VAL 59 HG11 VAL 59 6.208 23.219 -37.634 366 HG12 VAL 59 HG12 VAL 59 7.713 23.712 -36.855 367 HG13 VAL 59 HG13 VAL 59 7.116 24.595 -38.260 368 HG21 VAL 59 HG21 VAL 59 8.039 20.567 -38.964 369 HG22 VAL 59 HG22 VAL 59 8.886 21.157 -37.534 370 HG23 VAL 59 HG23 VAL 59 7.123 21.107 -37.557 Start of MODEL 14 1 H MET 11 H MET 11 0.942 -2.962 0.478 2 HA MET 11 HA MET 11 2.377 -0.571 1.227 3 HB2 MET 11 HB2 MET 11 3.677 -0.946 -0.787 4 HB3 MET 11 HB3 MET 11 3.510 -2.456 0.099 5 HG2 MET 11 HG2 MET 11 1.563 -2.965 -1.455 6 HG3 MET 11 HG3 MET 11 2.143 -1.619 -2.433 7 HE1 MET 11 HE1 MET 11 4.457 -5.074 -0.956 8 HE2 MET 11 HE2 MET 11 2.734 -4.772 -0.732 9 HE3 MET 11 HE3 MET 11 3.286 -5.788 -2.065 10 H LEU 12 H LEU 12 2.621 1.244 -0.319 11 HA LEU 12 HA LEU 12 0.286 1.704 -2.019 12 HB2 LEU 12 HB2 LEU 12 0.263 4.088 -1.029 13 HB3 LEU 12 HB3 LEU 12 -0.525 2.780 -0.148 14 HG LEU 12 HG LEU 12 2.281 3.314 0.592 15 HD11 LEU 12 HD11 LEU 12 1.410 5.590 0.224 16 HD12 LEU 12 HD12 LEU 12 1.759 5.260 1.921 17 HD13 LEU 12 HD13 LEU 12 0.092 5.245 1.345 18 HD21 LEU 12 HD21 LEU 12 1.560 2.682 2.712 19 HD22 LEU 12 HD22 LEU 12 0.583 1.684 1.634 20 HD23 LEU 12 HD23 LEU 12 -0.116 3.121 2.380 21 H ASP 13 H ASP 13 1.065 2.192 -3.951 22 HA ASP 13 HA ASP 13 3.241 4.142 -4.153 23 HB2 ASP 13 HB2 ASP 13 3.215 1.634 -5.832 24 HB3 ASP 13 HB3 ASP 13 4.494 2.839 -5.708 25 H VAL 14 H VAL 14 1.330 5.464 -4.664 26 HA VAL 14 HA VAL 14 -0.051 4.939 -7.147 27 HB VAL 14 HB VAL 14 -1.121 7.158 -6.732 28 HG11 VAL 14 HG11 VAL 14 -1.901 4.894 -5.813 29 HG12 VAL 14 HG12 VAL 14 -1.301 5.472 -4.257 30 HG13 VAL 14 HG13 VAL 14 -2.579 6.354 -5.094 31 HG21 VAL 14 HG21 VAL 14 -0.254 8.613 -5.295 32 HG22 VAL 14 HG22 VAL 14 -0.358 7.436 -3.986 33 HG23 VAL 14 HG23 VAL 14 1.078 7.495 -5.007 34 H GLY 15 H GLY 15 2.436 4.948 -7.947 35 HA2 GLY 15 HA2 GLY 15 2.831 7.616 -9.154 36 HA3 GLY 15 HA3 GLY 15 4.179 6.634 -8.601 37 H LYS 16 H LYS 16 3.326 7.721 -11.296 38 HA LYS 16 HA LYS 16 3.204 5.175 -12.767 39 HB2 LYS 16 HB2 LYS 16 1.799 7.619 -13.086 40 HB3 LYS 16 HB3 LYS 16 2.857 7.443 -14.480 41 HG2 LYS 16 HG2 LYS 16 0.733 6.478 -14.998 42 HG3 LYS 16 HG3 LYS 16 1.918 5.179 -14.847 43 HD2 LYS 16 HD2 LYS 16 1.127 4.690 -12.601 44 HD3 LYS 16 HD3 LYS 16 -0.013 6.035 -12.689 45 HE2 LYS 16 HE2 LYS 16 -1.332 4.187 -13.183 46 HE3 LYS 16 HE3 LYS 16 -0.931 4.831 -14.774 47 HZ1 LYS 16 HZ1 LYS 16 0.197 2.451 -13.429 48 HZ2 LYS 16 HZ2 LYS 16 0.971 3.181 -14.744 49 HZ3 LYS 16 HZ3 LYS 16 -0.583 2.539 -14.928 50 H HIS 17 H HIS 17 4.905 4.531 -13.925 51 HA HIS 17 HA HIS 17 7.305 6.131 -13.922 52 HB2 HIS 17 HB2 HIS 17 6.917 3.490 -15.325 53 HB3 HIS 17 HB3 HIS 17 8.420 4.197 -14.739 54 HD1 HIS 17 HD1 HIS 17 5.196 2.736 -13.376 55 HD2 HIS 17 HD2 HIS 17 9.132 3.412 -12.230 56 HE1 HIS 17 HE1 HIS 17 5.450 1.607 -11.143 57 H CYS 18 H CYS 18 8.152 7.268 -15.567 58 HA CYS 18 HA CYS 18 6.645 8.173 -17.687 59 HB2 CYS 18 HB2 CYS 18 8.778 9.184 -16.847 60 HB3 CYS 18 HB3 CYS 18 9.658 7.914 -17.692 61 H ALA 19 H ALA 19 6.221 7.526 -19.727 62 HA ALA 19 HA ALA 19 6.978 4.807 -20.442 63 HB1 ALA 19 HB1 ALA 19 4.910 4.754 -21.239 64 HB2 ALA 19 HB2 ALA 19 4.711 6.476 -20.913 65 HB3 ALA 19 HB3 ALA 19 5.368 5.942 -22.460 66 H TYR 20 H TYR 20 8.831 7.189 -20.577 67 HA TYR 20 HA TYR 20 9.676 6.773 -23.363 68 HB2 TYR 20 HB2 TYR 20 8.601 9.027 -23.024 69 HB3 TYR 20 HB3 TYR 20 9.909 9.414 -21.912 70 HD1 TYR 20 HD1 TYR 20 12.184 9.757 -22.736 71 HD2 TYR 20 HD2 TYR 20 8.976 8.940 -25.410 72 HE1 TYR 20 HE1 TYR 20 13.571 10.512 -24.622 73 HE2 TYR 20 HE2 TYR 20 10.355 9.691 -27.303 74 HH TYR 20 HH TYR 20 13.142 11.457 -26.959 75 H CYS 21 H CYS 21 10.582 7.637 -20.065 76 HA CYS 21 HA CYS 21 13.279 6.594 -20.614 77 HB2 CYS 21 HB2 CYS 21 14.308 8.307 -19.349 78 HB3 CYS 21 HB3 CYS 21 13.155 9.133 -20.392 79 H ARG 22 H ARG 22 10.559 5.865 -19.161 80 HA ARG 22 HA ARG 22 9.898 4.743 -17.282 81 HB2 ARG 22 HB2 ARG 22 12.692 3.602 -17.424 82 HB3 ARG 22 HB3 ARG 22 11.275 2.847 -16.708 83 HG2 ARG 22 HG2 ARG 22 11.370 1.751 -18.706 84 HG3 ARG 22 HG3 ARG 22 10.306 3.093 -19.132 85 HD2 ARG 22 HD2 ARG 22 11.898 4.133 -20.400 86 HD3 ARG 22 HD3 ARG 22 13.234 3.478 -19.454 87 HE ARG 22 HE ARG 22 11.997 1.362 -20.795 88 HH11 ARG 22 HH11 ARG 22 13.849 4.222 -21.511 89 HH12 ARG 22 HH12 ARG 22 14.539 3.570 -22.960 90 HH21 ARG 22 HH21 ARG 22 12.899 0.493 -22.701 91 HH22 ARG 22 HH22 ARG 22 13.998 1.449 -23.636 92 H GLN 23 H GLN 23 9.964 6.850 -16.126 93 HA GLN 23 HA GLN 23 11.988 6.800 -13.984 94 HB2 GLN 23 HB2 GLN 23 11.102 8.960 -15.721 95 HB3 GLN 23 HB3 GLN 23 10.942 9.374 -14.020 96 HG2 GLN 23 HG2 GLN 23 13.491 8.131 -14.828 97 HG3 GLN 23 HG3 GLN 23 13.179 9.757 -15.434 98 HE21 GLN 23 HE21 GLN 23 14.467 10.995 -14.233 99 HE22 GLN 23 HE22 GLN 23 14.465 11.056 -12.507 100 H LEU 24 H LEU 24 11.138 6.174 -12.122 101 HA LEU 24 HA LEU 24 8.336 6.112 -11.636 102 HB2 LEU 24 HB2 LEU 24 9.765 4.454 -10.648 103 HB3 LEU 24 HB3 LEU 24 10.703 5.695 -9.820 104 HG LEU 24 HG LEU 24 8.697 6.226 -8.455 105 HD11 LEU 24 HD11 LEU 24 7.334 4.810 -10.384 106 HD12 LEU 24 HD12 LEU 24 6.691 5.334 -8.828 107 HD13 LEU 24 HD13 LEU 24 7.355 3.709 -9.006 108 HD21 LEU 24 HD21 LEU 24 8.971 4.421 -6.958 109 HD22 LEU 24 HD22 LEU 24 10.518 4.603 -7.785 110 HD23 LEU 24 HD23 LEU 24 9.411 3.311 -8.256 111 H ASP 25 H ASP 25 7.268 7.988 -11.454 112 HA ASP 25 HA ASP 25 8.321 9.982 -9.554 113 HB2 ASP 25 HB2 ASP 25 7.202 10.272 -12.266 114 HB3 ASP 25 HB3 ASP 25 6.575 11.414 -11.081 115 H PHE 26 H PHE 26 6.610 11.331 -8.528 116 HA PHE 26 HA PHE 26 4.447 9.595 -7.632 117 HB2 PHE 26 HB2 PHE 26 5.098 12.337 -6.561 118 HB3 PHE 26 HB3 PHE 26 4.237 11.030 -5.755 119 HD1 PHE 26 HD1 PHE 26 7.540 12.196 -6.884 120 HD2 PHE 26 HD2 PHE 26 5.398 9.320 -4.591 121 HE1 PHE 26 HE1 PHE 26 9.648 11.448 -5.859 122 HE2 PHE 26 HE2 PHE 26 7.502 8.568 -3.561 123 HZ PHE 26 HZ PHE 26 9.631 9.633 -4.194 124 H LEU 27 H LEU 27 4.951 12.689 -9.232 125 HA LEU 27 HA LEU 27 2.045 12.904 -9.654 126 HB2 LEU 27 HB2 LEU 27 2.631 15.302 -10.277 127 HB3 LEU 27 HB3 LEU 27 2.732 14.853 -8.576 128 HG LEU 27 HG LEU 27 5.212 14.735 -10.220 129 HD11 LEU 27 HD11 LEU 27 5.515 16.956 -10.427 130 HD12 LEU 27 HD12 LEU 27 4.642 17.325 -8.940 131 HD13 LEU 27 HD13 LEU 27 3.751 16.987 -10.423 132 HD21 LEU 27 HD21 LEU 27 5.984 14.277 -8.187 133 HD22 LEU 27 HD22 LEU 27 4.440 14.688 -7.440 134 HD23 LEU 27 HD23 LEU 27 5.634 15.950 -7.750 135 HA PRO 28 HA PRO 28 3.707 11.683 -13.769 136 HB2 PRO 28 HB2 PRO 28 1.527 10.213 -14.446 137 HB3 PRO 28 HB3 PRO 28 2.865 9.564 -13.490 138 HG2 PRO 28 HG2 PRO 28 0.209 10.598 -12.574 139 HG3 PRO 28 HG3 PRO 28 1.094 9.158 -12.038 140 HD2 PRO 28 HD2 PRO 28 1.083 11.470 -10.628 141 HD3 PRO 28 HD3 PRO 28 2.477 10.371 -10.649 142 H PHE 29 H PHE 29 3.453 12.995 -15.459 143 HA PHE 29 HA PHE 29 1.272 14.864 -15.551 144 HB2 PHE 29 HB2 PHE 29 3.884 14.592 -16.768 145 HB3 PHE 29 HB3 PHE 29 2.674 15.022 -17.973 146 HD1 PHE 29 HD1 PHE 29 1.455 17.128 -17.814 147 HD2 PHE 29 HD2 PHE 29 4.512 16.116 -15.031 148 HE1 PHE 29 HE1 PHE 29 1.562 19.475 -17.084 149 HE2 PHE 29 HE2 PHE 29 4.623 18.462 -14.295 150 HZ PHE 29 HZ PHE 29 3.148 20.145 -15.323 151 H HIS 30 H HIS 30 -0.665 14.112 -16.149 152 HA HIS 30 HA HIS 30 -0.936 12.027 -18.129 153 HB2 HIS 30 HB2 HIS 30 -2.459 11.983 -16.263 154 HB3 HIS 30 HB3 HIS 30 -2.972 13.637 -16.581 155 HD1 HIS 30 HD1 HIS 30 -3.513 10.122 -17.666 156 HD2 HIS 30 HD2 HIS 30 -4.770 13.933 -18.739 157 HE1 HIS 30 HE1 HIS 30 -5.473 9.775 -19.202 158 H CYS 31 H CYS 31 -0.934 12.406 -20.235 159 HA CYS 31 HA CYS 31 -1.365 15.086 -21.250 160 HB2 CYS 31 HB2 CYS 31 0.358 13.204 -22.025 161 HB3 CYS 31 HB3 CYS 31 -0.980 12.770 -23.083 162 H SER 32 H SER 32 -3.182 15.824 -22.143 163 HA SER 32 HA SER 32 -5.455 14.011 -22.358 164 HB2 SER 32 HB2 SER 32 -5.125 16.755 -21.651 165 HB3 SER 32 HB3 SER 32 -6.165 16.679 -23.073 166 HG SER 32 HG SER 32 -7.692 15.874 -21.880 167 H PHE 33 H PHE 33 -3.145 14.215 -24.318 168 HA PHE 33 HA PHE 33 -4.761 14.710 -26.732 169 HB2 PHE 33 HB2 PHE 33 -1.753 14.822 -26.673 170 HB3 PHE 33 HB3 PHE 33 -2.851 15.482 -27.881 171 HD1 PHE 33 HD1 PHE 33 -4.778 16.934 -26.221 172 HD2 PHE 33 HD2 PHE 33 -0.545 16.633 -25.892 173 HE1 PHE 33 HE1 PHE 33 -4.715 19.116 -25.086 174 HE2 PHE 33 HE2 PHE 33 -0.475 18.814 -24.756 175 HZ PHE 33 HZ PHE 33 -2.561 20.059 -24.353 176 H CYS 34 H CYS 34 -2.113 12.759 -25.392 177 HA CYS 34 HA CYS 34 -2.726 10.673 -27.373 178 HB2 CYS 34 HB2 CYS 34 -0.491 9.776 -26.889 179 HB3 CYS 34 HB3 CYS 34 -0.406 11.456 -27.412 180 H ASN 35 H ASN 35 -3.041 11.492 -24.107 181 HA ASN 35 HA ASN 35 -3.913 10.383 -22.320 182 HB2 ASN 35 HB2 ASN 35 -5.263 9.319 -24.349 183 HB3 ASN 35 HB3 ASN 35 -4.360 7.881 -23.881 184 HD21 ASN 35 HD21 ASN 35 -7.177 9.457 -23.462 185 HD22 ASN 35 HD22 ASN 35 -7.633 8.854 -21.909 186 H GLU 36 H GLU 36 -1.359 10.464 -22.116 187 HA GLU 36 HA GLU 36 -0.610 7.850 -21.080 188 HB2 GLU 36 HB2 GLU 36 0.961 9.328 -23.186 189 HB3 GLU 36 HB3 GLU 36 1.692 8.118 -22.142 190 HG2 GLU 36 HG2 GLU 36 -0.499 6.797 -23.083 191 HG3 GLU 36 HG3 GLU 36 -0.048 7.796 -24.463 192 H ASP 37 H ASP 37 0.953 7.924 -19.445 193 HA ASP 37 HA ASP 37 1.296 10.582 -18.265 194 HB2 ASP 37 HB2 ASP 37 1.379 7.788 -17.162 195 HB3 ASP 37 HB3 ASP 37 2.099 9.124 -16.268 196 H PHE 38 H PHE 38 3.286 11.409 -17.684 197 HA PHE 38 HA PHE 38 5.695 9.881 -18.210 198 HB2 PHE 38 HB2 PHE 38 5.170 12.473 -19.679 199 HB3 PHE 38 HB3 PHE 38 6.635 11.500 -19.770 200 HD1 PHE 38 HD1 PHE 38 6.527 9.229 -20.810 201 HD2 PHE 38 HD2 PHE 38 3.303 12.000 -21.025 202 HE1 PHE 38 HE1 PHE 38 5.574 7.968 -22.695 203 HE2 PHE 38 HE2 PHE 38 2.344 10.742 -22.909 204 HZ PHE 38 HZ PHE 38 3.479 8.723 -23.746 205 H CYS 39 H CYS 39 7.490 10.643 -17.123 206 HA CYS 39 HA CYS 39 7.152 11.995 -14.751 207 HB2 CYS 39 HB2 CYS 39 9.513 12.052 -14.555 208 HB3 CYS 39 HB3 CYS 39 9.155 10.618 -15.511 209 H SER 40 H SER 40 7.840 14.095 -14.032 210 HA SER 40 HA SER 40 6.758 16.216 -15.419 211 HB2 SER 40 HB2 SER 40 8.275 15.860 -13.009 212 HB3 SER 40 HB3 SER 40 8.876 17.280 -13.863 213 HG SER 40 HG SER 40 6.185 16.756 -13.124 214 H ASN 41 H ASN 41 10.125 15.116 -15.377 215 HA ASN 41 HA ASN 41 11.305 17.152 -16.833 216 HB2 ASN 41 HB2 ASN 41 12.196 14.828 -15.773 217 HB3 ASN 41 HB3 ASN 41 12.214 14.410 -17.484 218 HD21 ASN 41 HD21 ASN 41 13.725 16.147 -14.970 219 HD22 ASN 41 HD22 ASN 41 15.000 16.844 -15.905 220 H HIS 42 H HIS 42 9.262 14.545 -17.915 221 HA HIS 42 HA HIS 42 9.625 15.430 -20.700 222 HB2 HIS 42 HB2 HIS 42 8.881 12.763 -19.524 223 HB3 HIS 42 HB3 HIS 42 8.500 13.156 -21.198 224 HD2 HIS 42 HD2 HIS 42 11.131 14.231 -22.449 225 HE1 HIS 42 HE1 HIS 42 13.195 11.106 -20.457 226 HE2 HIS 42 HE2 HIS 42 13.297 12.825 -22.297 227 H ARG 43 H ARG 43 7.840 16.473 -18.482 228 HA ARG 43 HA ARG 43 5.175 15.821 -18.907 229 HB2 ARG 43 HB2 ARG 43 4.622 17.908 -17.860 230 HB3 ARG 43 HB3 ARG 43 6.062 17.273 -17.075 231 HG2 ARG 43 HG2 ARG 43 7.453 18.796 -18.378 232 HG3 ARG 43 HG3 ARG 43 6.012 19.429 -19.176 233 HD2 ARG 43 HD2 ARG 43 5.166 20.277 -17.089 234 HD3 ARG 43 HD3 ARG 43 6.482 19.511 -16.200 235 HE ARG 43 HE ARG 43 7.398 21.355 -18.193 236 HH11 ARG 43 HH11 ARG 43 6.219 21.049 -14.932 237 HH12 ARG 43 HH12 ARG 43 6.980 22.505 -14.382 238 HH21 ARG 43 HH21 ARG 43 8.404 23.274 -17.481 239 HH22 ARG 43 HH22 ARG 43 8.222 23.770 -15.833 240 H LEU 44 H LEU 44 7.295 17.953 -20.716 241 HA LEU 44 HA LEU 44 5.433 19.339 -22.242 242 HB2 LEU 44 HB2 LEU 44 8.076 18.335 -23.270 243 HB3 LEU 44 HB3 LEU 44 7.189 19.765 -23.793 244 HG LEU 44 HG LEU 44 8.546 19.398 -21.122 245 HD11 LEU 44 HD11 LEU 44 10.371 20.309 -22.002 246 HD12 LEU 44 HD12 LEU 44 9.441 21.586 -22.786 247 HD13 LEU 44 HD13 LEU 44 9.652 20.029 -23.588 248 HD21 LEU 44 HD21 LEU 44 7.181 21.831 -22.268 249 HD22 LEU 44 HD22 LEU 44 7.967 21.700 -20.695 250 HD23 LEU 44 HD23 LEU 44 6.498 20.781 -21.026 251 H LYS 45 H LYS 45 5.127 19.029 -24.659 252 HA LYS 45 HA LYS 45 3.885 16.483 -25.082 253 HB2 LYS 45 HB2 LYS 45 3.848 19.097 -26.314 254 HB3 LYS 45 HB3 LYS 45 3.997 17.842 -27.537 255 HG2 LYS 45 HG2 LYS 45 1.989 16.783 -26.793 256 HG3 LYS 45 HG3 LYS 45 1.887 17.850 -25.391 257 HD2 LYS 45 HD2 LYS 45 0.503 19.056 -26.689 258 HD3 LYS 45 HD3 LYS 45 1.991 19.650 -27.429 259 HE2 LYS 45 HE2 LYS 45 1.126 18.913 -29.354 260 HE3 LYS 45 HE3 LYS 45 1.551 17.303 -28.775 261 HZ1 LYS 45 HZ1 LYS 45 -0.604 16.854 -28.169 262 HZ2 LYS 45 HZ2 LYS 45 -0.852 17.795 -29.551 263 HZ3 LYS 45 HZ3 LYS 45 -1.034 18.483 -28.016 264 H GLU 46 H GLU 46 6.377 18.216 -26.966 265 HA GLU 46 HA GLU 46 7.137 16.090 -28.576 266 HB2 GLU 46 HB2 GLU 46 9.131 17.328 -29.072 267 HB3 GLU 46 HB3 GLU 46 7.813 18.475 -28.879 268 HG2 GLU 46 HG2 GLU 46 8.594 18.848 -26.534 269 HG3 GLU 46 HG3 GLU 46 10.003 17.861 -26.914 270 H ASP 47 H ASP 47 7.985 16.810 -25.278 271 HA ASP 47 HA ASP 47 10.296 15.370 -24.899 272 HB2 ASP 47 HB2 ASP 47 7.971 16.047 -23.171 273 HB3 ASP 47 HB3 ASP 47 9.086 14.819 -22.580 274 H HIS 48 H HIS 48 6.969 14.123 -24.615 275 HA HIS 48 HA HIS 48 8.012 11.392 -24.643 276 HB2 HIS 48 HB2 HIS 48 5.748 10.717 -24.011 277 HB3 HIS 48 HB3 HIS 48 6.347 11.968 -22.926 278 HD1 HIS 48 HD1 HIS 48 4.955 14.037 -22.698 279 HD2 HIS 48 HD2 HIS 48 3.806 11.695 -25.932 280 HE1 HIS 48 HE1 HIS 48 2.832 15.075 -23.559 281 H HIS 49 H HIS 49 7.811 13.299 -27.000 282 HA HIS 49 HA HIS 49 7.199 13.277 -29.200 283 HB2 HIS 49 HB2 HIS 49 7.669 10.402 -28.504 284 HB3 HIS 49 HB3 HIS 49 7.086 10.817 -30.114 285 HD1 HIS 49 HD1 HIS 49 9.076 10.567 -31.574 286 HD2 HIS 49 HD2 HIS 49 9.961 12.623 -28.074 287 HE1 HIS 49 HE1 HIS 49 11.461 11.322 -31.823 288 H CYS 50 H CYS 50 5.039 13.965 -27.951 289 HA CYS 50 HA CYS 50 2.808 12.347 -27.861 290 HB2 CYS 50 HB2 CYS 50 3.087 14.803 -27.136 291 HB3 CYS 50 HB3 CYS 50 2.655 15.205 -28.795 292 H ARG 51 H ARG 51 1.500 11.420 -29.310 293 HA ARG 51 HA ARG 51 2.169 11.112 -31.974 294 HB2 ARG 51 HB2 ARG 51 0.056 10.285 -30.254 295 HB3 ARG 51 HB3 ARG 51 -0.664 10.881 -31.744 296 HG2 ARG 51 HG2 ARG 51 -0.347 8.616 -32.141 297 HG3 ARG 51 HG3 ARG 51 1.031 9.378 -32.938 298 HD2 ARG 51 HD2 ARG 51 2.333 8.950 -30.817 299 HD3 ARG 51 HD3 ARG 51 0.978 7.954 -30.287 300 HE ARG 51 HE ARG 51 1.753 7.082 -32.824 301 HH11 ARG 51 HH11 ARG 51 3.010 7.208 -29.580 302 HH12 ARG 51 HH12 ARG 51 3.996 5.795 -29.767 303 HH21 ARG 51 HH21 ARG 51 3.046 5.221 -33.083 304 HH22 ARG 51 HH22 ARG 51 4.016 4.667 -31.761 305 H TRP 52 H TRP 52 -0.171 13.361 -30.537 306 HA TRP 52 HA TRP 52 -1.216 14.475 -32.842 307 HB2 TRP 52 HB2 TRP 52 -1.946 14.925 -30.469 308 HB3 TRP 52 HB3 TRP 52 -0.580 16.030 -30.330 309 HD1 TRP 52 HD1 TRP 52 -4.083 15.779 -31.726 310 HE1 TRP 52 HE1 TRP 52 -4.777 18.060 -32.697 311 HE3 TRP 52 HE3 TRP 52 0.440 18.155 -31.531 312 HZ2 TRP 52 HZ2 TRP 52 -3.567 20.538 -33.301 313 HZ3 TRP 52 HZ3 TRP 52 0.586 20.480 -32.325 314 HH2 TRP 52 HH2 TRP 52 -1.377 21.644 -33.191 315 H LEU 53 H LEU 53 1.810 15.210 -31.188 316 HA LEU 53 HA LEU 53 2.489 17.500 -32.690 317 HB2 LEU 53 HB2 LEU 53 3.740 15.773 -30.735 318 HB3 LEU 53 HB3 LEU 53 4.883 16.271 -31.980 319 HG LEU 53 HG LEU 53 3.272 18.094 -30.195 320 HD11 LEU 53 HD11 LEU 53 5.259 18.560 -29.058 321 HD12 LEU 53 HD12 LEU 53 6.257 17.816 -30.307 322 HD13 LEU 53 HD13 LEU 53 5.269 16.807 -29.251 323 HD21 LEU 53 HD21 LEU 53 4.768 18.553 -32.684 324 HD22 LEU 53 HD22 LEU 53 5.153 19.653 -31.360 325 HD23 LEU 53 HD23 LEU 53 3.490 19.507 -31.931 326 H LEU 54 H LEU 54 3.029 14.061 -33.204 327 HA LEU 54 HA LEU 54 4.781 14.385 -35.431 328 HB2 LEU 54 HB2 LEU 54 3.098 11.952 -35.004 329 HB3 LEU 54 HB3 LEU 54 4.740 12.074 -35.634 330 HG LEU 54 HG LEU 54 3.889 12.377 -32.755 331 HD11 LEU 54 HD11 LEU 54 5.232 10.207 -34.322 332 HD12 LEU 54 HD12 LEU 54 3.867 10.099 -33.211 333 HD13 LEU 54 HD13 LEU 54 5.493 10.374 -32.586 334 HD21 LEU 54 HD21 LEU 54 5.708 13.679 -32.611 335 HD22 LEU 54 HD22 LEU 54 6.322 13.167 -34.183 336 HD23 LEU 54 HD23 LEU 54 6.604 12.167 -32.758 337 H GLU 55 H GLU 55 1.368 13.371 -35.197 338 HA GLU 55 HA GLU 55 0.880 13.321 -37.960 339 HB2 GLU 55 HB2 GLU 55 -1.471 13.281 -37.391 340 HB3 GLU 55 HB3 GLU 55 -0.582 12.267 -36.264 341 HG2 GLU 55 HG2 GLU 55 -0.567 14.312 -34.728 342 HG3 GLU 55 HG3 GLU 55 -1.816 14.953 -35.793 343 H HIS 56 H HIS 56 0.694 15.915 -35.597 344 HA HIS 56 HA HIS 56 0.162 17.796 -37.802 345 HB2 HIS 56 HB2 HIS 56 -1.116 17.525 -35.156 346 HB3 HIS 56 HB3 HIS 56 -0.691 19.171 -35.615 347 HD1 HIS 56 HD1 HIS 56 -1.705 19.952 -38.013 348 HD2 HIS 56 HD2 HIS 56 -3.442 16.623 -36.235 349 HE1 HIS 56 HE1 HIS 56 -3.927 19.662 -39.155 350 H GLU 57 H GLU 57 2.440 18.033 -38.072 351 HA GLU 57 HA GLU 57 4.091 18.941 -35.915 352 HB2 GLU 57 HB2 GLU 57 4.443 18.499 -38.841 353 HB3 GLU 57 HB3 GLU 57 5.591 19.550 -38.023 354 HG2 GLU 57 HG2 GLU 57 5.854 17.624 -36.349 355 HG3 GLU 57 HG3 GLU 57 5.066 16.638 -37.579 356 H GLU 58 H GLU 58 3.055 20.785 -35.102 357 HA GLU 58 HA GLU 58 2.198 22.983 -36.593 358 HB2 GLU 58 HB2 GLU 58 2.413 24.261 -34.475 359 HB3 GLU 58 HB3 GLU 58 1.559 22.736 -34.281 360 HG2 GLU 58 HG2 GLU 58 3.758 21.753 -33.517 361 HG3 GLU 58 HG3 GLU 58 4.362 23.408 -33.445 362 H VAL 59 H VAL 59 3.216 24.596 -37.600 363 HA VAL 59 HA VAL 59 6.139 24.750 -37.346 364 HB VAL 59 HB VAL 59 5.217 24.326 -39.612 365 HG11 VAL 59 HG11 VAL 59 3.195 25.869 -39.111 366 HG12 VAL 59 HG12 VAL 59 4.258 27.159 -39.677 367 HG13 VAL 59 HG13 VAL 59 3.853 25.815 -40.746 368 HG21 VAL 59 HG21 VAL 59 6.459 27.048 -39.635 369 HG22 VAL 59 HG22 VAL 59 7.369 25.658 -39.043 370 HG23 VAL 59 HG23 VAL 59 6.760 25.674 -40.698 Start of MODEL 15 1 H MET 11 H MET 11 -3.416 -2.955 -5.639 2 HA MET 11 HA MET 11 -4.088 -0.872 -6.284 3 HB2 MET 11 HB2 MET 11 -5.679 -1.131 -3.747 4 HB3 MET 11 HB3 MET 11 -5.658 0.377 -4.652 5 HG2 MET 11 HG2 MET 11 -6.256 -1.252 -6.652 6 HG3 MET 11 HG3 MET 11 -6.888 -2.229 -5.329 7 HE1 MET 11 HE1 MET 11 -6.745 0.839 -7.236 8 HE2 MET 11 HE2 MET 11 -8.450 1.216 -7.482 9 HE3 MET 11 HE3 MET 11 -7.546 2.018 -6.197 10 H LEU 12 H LEU 12 -1.837 -0.332 -6.059 11 HA LEU 12 HA LEU 12 -1.431 1.783 -4.101 12 HB2 LEU 12 HB2 LEU 12 0.917 0.819 -3.696 13 HB3 LEU 12 HB3 LEU 12 -0.449 0.119 -2.831 14 HG LEU 12 HG LEU 12 0.387 -1.164 -5.379 15 HD11 LEU 12 HD11 LEU 12 1.986 -1.153 -2.849 16 HD12 LEU 12 HD12 LEU 12 2.536 -1.007 -4.518 17 HD13 LEU 12 HD13 LEU 12 1.975 -2.564 -3.908 18 HD21 LEU 12 HD21 LEU 12 -1.176 -1.779 -3.009 19 HD22 LEU 12 HD22 LEU 12 -0.020 -3.051 -3.406 20 HD23 LEU 12 HD23 LEU 12 -1.201 -2.525 -4.607 21 H ASP 13 H ASP 13 -0.753 3.491 -5.194 22 HA ASP 13 HA ASP 13 1.008 3.068 -7.520 23 HB2 ASP 13 HB2 ASP 13 -0.047 5.313 -8.305 24 HB3 ASP 13 HB3 ASP 13 -0.959 3.821 -8.517 25 H VAL 14 H VAL 14 2.810 3.320 -6.086 26 HA VAL 14 HA VAL 14 3.158 5.829 -4.693 27 HB VAL 14 HB VAL 14 5.429 4.934 -4.163 28 HG11 VAL 14 HG11 VAL 14 4.627 3.712 -2.426 29 HG12 VAL 14 HG12 VAL 14 3.095 4.375 -2.997 30 HG13 VAL 14 HG13 VAL 14 3.573 2.739 -3.452 31 HG21 VAL 14 HG21 VAL 14 4.977 3.301 -6.352 32 HG22 VAL 14 HG22 VAL 14 6.304 3.162 -5.199 33 HG23 VAL 14 HG23 VAL 14 4.836 2.212 -4.972 34 H GLY 15 H GLY 15 2.743 6.646 -7.145 35 HA2 GLY 15 HA2 GLY 15 3.849 8.315 -8.415 36 HA3 GLY 15 HA3 GLY 15 5.387 7.567 -8.010 37 H LYS 16 H LYS 16 3.972 8.344 -10.601 38 HA LYS 16 HA LYS 16 3.893 5.742 -11.937 39 HB2 LYS 16 HB2 LYS 16 2.487 8.187 -12.275 40 HB3 LYS 16 HB3 LYS 16 3.428 7.917 -13.736 41 HG2 LYS 16 HG2 LYS 16 1.337 6.922 -14.122 42 HG3 LYS 16 HG3 LYS 16 2.445 5.590 -13.787 43 HD2 LYS 16 HD2 LYS 16 1.149 4.916 -12.112 44 HD3 LYS 16 HD3 LYS 16 1.335 6.483 -11.321 45 HE2 LYS 16 HE2 LYS 16 -0.482 7.278 -12.970 46 HE3 LYS 16 HE3 LYS 16 -0.805 5.562 -13.208 47 HZ1 LYS 16 HZ1 LYS 16 -1.787 5.398 -11.223 48 HZ2 LYS 16 HZ2 LYS 16 -1.909 7.083 -11.282 49 HZ3 LYS 16 HZ3 LYS 16 -0.633 6.356 -10.442 50 H HIS 17 H HIS 17 5.460 5.041 -13.253 51 HA HIS 17 HA HIS 17 7.861 6.643 -13.517 52 HB2 HIS 17 HB2 HIS 17 7.411 3.888 -14.658 53 HB3 HIS 17 HB3 HIS 17 8.941 4.655 -14.242 54 HD1 HIS 17 HD1 HIS 17 5.852 3.259 -12.546 55 HD2 HIS 17 HD2 HIS 17 9.833 4.117 -11.723 56 HE1 HIS 17 HE1 HIS 17 6.278 2.330 -10.248 57 H CYS 18 H CYS 18 8.644 7.539 -15.355 58 HA CYS 18 HA CYS 18 6.970 8.329 -17.397 59 HB2 CYS 18 HB2 CYS 18 9.278 9.231 -16.810 60 HB3 CYS 18 HB3 CYS 18 9.935 7.909 -17.770 61 H ALA 19 H ALA 19 6.736 7.711 -19.584 62 HA ALA 19 HA ALA 19 7.058 4.828 -20.000 63 HB1 ALA 19 HB1 ALA 19 5.006 6.715 -20.630 64 HB2 ALA 19 HB2 ALA 19 5.580 5.956 -22.115 65 HB3 ALA 19 HB3 ALA 19 4.988 4.958 -20.786 66 H TYR 20 H TYR 20 9.054 7.174 -20.420 67 HA TYR 20 HA TYR 20 9.933 6.268 -23.078 68 HB2 TYR 20 HB2 TYR 20 8.916 8.688 -22.862 69 HB3 TYR 20 HB3 TYR 20 10.500 9.072 -22.197 70 HD1 TYR 20 HD1 TYR 20 12.242 9.619 -23.633 71 HD2 TYR 20 HD2 TYR 20 8.902 7.472 -25.164 72 HE1 TYR 20 HE1 TYR 20 13.147 9.845 -25.908 73 HE2 TYR 20 HE2 TYR 20 9.799 7.691 -27.444 74 HH TYR 20 HH TYR 20 12.977 9.073 -28.042 75 H CYS 21 H CYS 21 10.921 7.902 -20.079 76 HA CYS 21 HA CYS 21 13.611 6.755 -20.426 77 HB2 CYS 21 HB2 CYS 21 14.496 8.549 -19.150 78 HB3 CYS 21 HB3 CYS 21 13.359 9.281 -20.277 79 H ARG 22 H ARG 22 10.768 6.373 -18.742 80 HA ARG 22 HA ARG 22 10.150 5.233 -16.871 81 HB2 ARG 22 HB2 ARG 22 12.851 3.903 -17.100 82 HB3 ARG 22 HB3 ARG 22 11.405 3.254 -16.339 83 HG2 ARG 22 HG2 ARG 22 11.362 2.136 -18.324 84 HG3 ARG 22 HG3 ARG 22 10.396 3.552 -18.745 85 HD2 ARG 22 HD2 ARG 22 12.018 4.433 -20.080 86 HD3 ARG 22 HD3 ARG 22 13.330 3.734 -19.131 87 HE ARG 22 HE ARG 22 11.776 1.785 -20.560 88 HH11 ARG 22 HH11 ARG 22 14.448 4.010 -20.744 89 HH12 ARG 22 HH12 ARG 22 15.241 3.155 -22.026 90 HH21 ARG 22 HH21 ARG 22 12.810 0.650 -22.247 91 HH22 ARG 22 HH22 ARG 22 14.308 1.244 -22.880 92 H GLN 23 H GLN 23 10.469 7.404 -15.821 93 HA GLN 23 HA GLN 23 12.549 7.222 -13.741 94 HB2 GLN 23 HB2 GLN 23 11.642 9.488 -15.418 95 HB3 GLN 23 HB3 GLN 23 11.948 9.852 -13.725 96 HG2 GLN 23 HG2 GLN 23 14.211 9.010 -13.924 97 HG3 GLN 23 HG3 GLN 23 13.913 8.558 -15.602 98 HE21 GLN 23 HE21 GLN 23 15.557 9.871 -16.366 99 HE22 GLN 23 HE22 GLN 23 15.427 11.593 -16.400 100 H LEU 24 H LEU 24 11.677 6.685 -11.859 101 HA LEU 24 HA LEU 24 8.950 6.792 -11.241 102 HB2 LEU 24 HB2 LEU 24 10.796 5.412 -10.152 103 HB3 LEU 24 HB3 LEU 24 11.149 6.849 -9.195 104 HG LEU 24 HG LEU 24 8.407 5.632 -9.213 105 HD11 LEU 24 HD11 LEU 24 9.502 4.735 -6.899 106 HD12 LEU 24 HD12 LEU 24 10.858 4.558 -8.013 107 HD13 LEU 24 HD13 LEU 24 9.320 3.768 -8.364 108 HD21 LEU 24 HD21 LEU 24 9.946 7.526 -7.478 109 HD22 LEU 24 HD22 LEU 24 8.574 6.624 -6.834 110 HD23 LEU 24 HD23 LEU 24 8.347 7.719 -8.198 111 H ASP 25 H ASP 25 7.858 8.661 -11.271 112 HA ASP 25 HA ASP 25 8.966 10.930 -9.751 113 HB2 ASP 25 HB2 ASP 25 7.902 10.794 -12.402 114 HB3 ASP 25 HB3 ASP 25 6.840 11.802 -11.422 115 H PHE 26 H PHE 26 7.425 12.271 -8.601 116 HA PHE 26 HA PHE 26 5.361 10.643 -7.354 117 HB2 PHE 26 HB2 PHE 26 6.133 13.460 -6.601 118 HB3 PHE 26 HB3 PHE 26 5.340 12.249 -5.600 119 HD1 PHE 26 HD1 PHE 26 8.528 13.253 -7.135 120 HD2 PHE 26 HD2 PHE 26 6.590 10.609 -4.420 121 HE1 PHE 26 HE1 PHE 26 10.718 12.553 -6.258 122 HE2 PHE 26 HE2 PHE 26 8.777 9.906 -3.538 123 HZ PHE 26 HZ PHE 26 10.845 10.879 -4.457 124 H LEU 27 H LEU 27 5.682 13.538 -9.312 125 HA LEU 27 HA LEU 27 2.745 13.730 -9.437 126 HB2 LEU 27 HB2 LEU 27 3.546 16.083 -10.457 127 HB3 LEU 27 HB3 LEU 27 3.192 15.821 -8.751 128 HG LEU 27 HG LEU 27 5.621 15.457 -8.362 129 HD11 LEU 27 HD11 LEU 27 6.115 14.803 -10.728 130 HD12 LEU 27 HD12 LEU 27 7.228 15.982 -10.036 131 HD13 LEU 27 HD13 LEU 27 5.975 16.507 -11.161 132 HD21 LEU 27 HD21 LEU 27 6.063 18.014 -9.264 133 HD22 LEU 27 HD22 LEU 27 5.331 17.575 -7.721 134 HD23 LEU 27 HD23 LEU 27 4.307 17.947 -9.109 135 HA PRO 28 HA PRO 28 4.047 12.239 -13.593 136 HB2 PRO 28 HB2 PRO 28 1.845 10.694 -13.960 137 HB3 PRO 28 HB3 PRO 28 3.278 10.133 -13.090 138 HG2 PRO 28 HG2 PRO 28 0.697 11.192 -12.004 139 HG3 PRO 28 HG3 PRO 28 1.658 9.806 -11.454 140 HD2 PRO 28 HD2 PRO 28 1.729 12.212 -10.213 141 HD3 PRO 28 HD3 PRO 28 3.137 11.134 -10.288 142 H PHE 29 H PHE 29 3.610 13.421 -15.340 143 HA PHE 29 HA PHE 29 1.297 15.165 -15.361 144 HB2 PHE 29 HB2 PHE 29 3.770 14.903 -17.035 145 HB3 PHE 29 HB3 PHE 29 2.396 15.818 -17.646 146 HD1 PHE 29 HD1 PHE 29 1.920 17.987 -16.856 147 HD2 PHE 29 HD2 PHE 29 4.873 15.611 -14.919 148 HE1 PHE 29 HE1 PHE 29 2.660 19.955 -15.578 149 HE2 PHE 29 HE2 PHE 29 5.617 17.575 -13.637 150 HZ PHE 29 HZ PHE 29 4.510 19.750 -13.965 151 H HIS 30 H HIS 30 -0.571 14.233 -15.924 152 HA HIS 30 HA HIS 30 -0.705 12.074 -17.817 153 HB2 HIS 30 HB2 HIS 30 -2.244 12.174 -15.906 154 HB3 HIS 30 HB3 HIS 30 -2.917 13.681 -16.520 155 HD1 HIS 30 HD1 HIS 30 -3.055 10.002 -16.956 156 HD2 HIS 30 HD2 HIS 30 -4.581 13.398 -18.800 157 HE1 HIS 30 HE1 HIS 30 -4.873 9.177 -18.486 158 H CYS 31 H CYS 31 -0.821 12.265 -19.947 159 HA CYS 31 HA CYS 31 -1.236 14.870 -21.148 160 HB2 CYS 31 HB2 CYS 31 0.500 13.057 -21.845 161 HB3 CYS 31 HB3 CYS 31 -0.856 12.329 -22.701 162 H SER 32 H SER 32 -3.048 15.562 -22.096 163 HA SER 32 HA SER 32 -5.359 13.782 -22.106 164 HB2 SER 32 HB2 SER 32 -5.141 16.356 -21.310 165 HB3 SER 32 HB3 SER 32 -5.664 16.598 -22.976 166 HG SER 32 HG SER 32 -7.217 16.118 -21.001 167 H PHE 33 H PHE 33 -3.100 13.739 -24.114 168 HA PHE 33 HA PHE 33 -4.743 14.096 -26.534 169 HB2 PHE 33 HB2 PHE 33 -1.738 14.304 -26.245 170 HB3 PHE 33 HB3 PHE 33 -2.612 14.395 -27.771 171 HD1 PHE 33 HD1 PHE 33 -4.941 16.047 -26.887 172 HD2 PHE 33 HD2 PHE 33 -0.771 16.426 -26.121 173 HE1 PHE 33 HE1 PHE 33 -5.221 18.472 -26.582 174 HE2 PHE 33 HE2 PHE 33 -1.045 18.852 -25.813 175 HZ PHE 33 HZ PHE 33 -3.272 19.879 -26.045 176 H CYS 34 H CYS 34 -2.149 12.154 -25.078 177 HA CYS 34 HA CYS 34 -2.911 9.929 -26.847 178 HB2 CYS 34 HB2 CYS 34 -0.685 8.995 -26.377 179 HB3 CYS 34 HB3 CYS 34 -0.572 10.610 -27.068 180 H ASN 35 H ASN 35 -3.018 11.048 -23.652 181 HA ASN 35 HA ASN 35 -3.840 10.140 -21.733 182 HB2 ASN 35 HB2 ASN 35 -5.334 8.959 -23.587 183 HB3 ASN 35 HB3 ASN 35 -4.459 7.531 -23.041 184 HD21 ASN 35 HD21 ASN 35 -5.988 6.467 -21.948 185 HD22 ASN 35 HD22 ASN 35 -6.847 7.095 -20.587 186 H GLU 36 H GLU 36 -1.289 10.137 -21.633 187 HA GLU 36 HA GLU 36 -0.574 7.562 -20.467 188 HB2 GLU 36 HB2 GLU 36 0.948 8.917 -22.684 189 HB3 GLU 36 HB3 GLU 36 1.723 7.787 -21.583 190 HG2 GLU 36 HG2 GLU 36 -0.545 6.447 -22.423 191 HG3 GLU 36 HG3 GLU 36 0.025 7.280 -23.868 192 H ASP 37 H ASP 37 1.278 7.682 -19.040 193 HA ASP 37 HA ASP 37 1.495 10.331 -17.813 194 HB2 ASP 37 HB2 ASP 37 2.473 9.066 -15.881 195 HB3 ASP 37 HB3 ASP 37 0.820 8.607 -16.281 196 H PHE 38 H PHE 38 3.434 11.356 -17.461 197 HA PHE 38 HA PHE 38 5.920 10.076 -18.228 198 HB2 PHE 38 HB2 PHE 38 4.927 12.544 -19.670 199 HB3 PHE 38 HB3 PHE 38 6.524 11.825 -19.853 200 HD1 PHE 38 HD1 PHE 38 6.649 9.432 -20.725 201 HD2 PHE 38 HD2 PHE 38 3.152 11.843 -20.995 202 HE1 PHE 38 HE1 PHE 38 5.791 7.981 -22.517 203 HE2 PHE 38 HE2 PHE 38 2.288 10.395 -22.786 204 HZ PHE 38 HZ PHE 38 3.607 8.460 -23.549 205 H CYS 39 H CYS 39 7.654 10.899 -17.168 206 HA CYS 39 HA CYS 39 7.360 12.369 -14.860 207 HB2 CYS 39 HB2 CYS 39 9.728 12.498 -14.753 208 HB3 CYS 39 HB3 CYS 39 9.367 10.995 -15.596 209 H SER 40 H SER 40 8.152 14.520 -14.298 210 HA SER 40 HA SER 40 6.925 16.553 -15.701 211 HB2 SER 40 HB2 SER 40 8.115 18.096 -14.295 212 HB3 SER 40 HB3 SER 40 7.776 16.659 -13.332 213 HG SER 40 HG SER 40 9.858 16.138 -13.335 214 H ASN 41 H ASN 41 10.329 15.552 -15.833 215 HA ASN 41 HA ASN 41 11.286 17.503 -17.560 216 HB2 ASN 41 HB2 ASN 41 12.193 14.630 -17.666 217 HB3 ASN 41 HB3 ASN 41 13.144 16.084 -17.951 218 HD21 ASN 41 HD21 ASN 41 13.775 17.356 -16.181 219 HD22 ASN 41 HD22 ASN 41 13.815 16.711 -14.579 220 H HIS 42 H HIS 42 9.273 14.756 -18.200 221 HA HIS 42 HA HIS 42 9.432 15.324 -21.088 222 HB2 HIS 42 HB2 HIS 42 8.947 12.758 -19.595 223 HB3 HIS 42 HB3 HIS 42 8.431 12.947 -21.268 224 HD2 HIS 42 HD2 HIS 42 10.950 14.141 -22.730 225 HE1 HIS 42 HE1 HIS 42 13.251 11.194 -20.724 226 HE2 HIS 42 HE2 HIS 42 13.182 12.836 -22.635 227 H ARG 43 H ARG 43 7.731 16.493 -18.869 228 HA ARG 43 HA ARG 43 5.079 15.617 -19.129 229 HB2 ARG 43 HB2 ARG 43 4.444 17.693 -18.094 230 HB3 ARG 43 HB3 ARG 43 5.929 17.129 -17.339 231 HG2 ARG 43 HG2 ARG 43 7.166 18.681 -18.896 232 HG3 ARG 43 HG3 ARG 43 5.594 19.363 -19.318 233 HD2 ARG 43 HD2 ARG 43 5.217 20.099 -17.098 234 HD3 ARG 43 HD3 ARG 43 6.572 19.154 -16.482 235 HE ARG 43 HE ARG 43 7.774 20.831 -18.206 236 HH11 ARG 43 HH11 ARG 43 5.492 21.351 -15.629 237 HH12 ARG 43 HH12 ARG 43 6.078 22.938 -15.255 238 HH21 ARG 43 HH21 ARG 43 8.554 22.919 -17.723 239 HH22 ARG 43 HH22 ARG 43 7.819 23.830 -16.448 240 H LEU 44 H LEU 44 6.993 17.875 -21.021 241 HA LEU 44 HA LEU 44 5.002 19.127 -22.491 242 HB2 LEU 44 HB2 LEU 44 7.674 18.262 -23.576 243 HB3 LEU 44 HB3 LEU 44 6.676 19.602 -24.138 244 HG LEU 44 HG LEU 44 8.033 19.470 -21.446 245 HD11 LEU 44 HD11 LEU 44 9.007 20.226 -24.072 246 HD12 LEU 44 HD12 LEU 44 9.887 19.986 -22.564 247 HD13 LEU 44 HD13 LEU 44 9.130 21.542 -22.903 248 HD21 LEU 44 HD21 LEU 44 6.239 20.897 -21.145 249 HD22 LEU 44 HD22 LEU 44 6.284 21.475 -22.811 250 HD23 LEU 44 HD23 LEU 44 7.511 22.005 -21.660 251 H LYS 45 H LYS 45 4.565 18.778 -24.862 252 HA LYS 45 HA LYS 45 3.466 16.168 -25.225 253 HB2 LYS 45 HB2 LYS 45 3.210 18.757 -26.444 254 HB3 LYS 45 HB3 LYS 45 3.454 17.544 -27.694 255 HG2 LYS 45 HG2 LYS 45 1.597 16.366 -26.045 256 HG3 LYS 45 HG3 LYS 45 1.132 18.069 -26.026 257 HD2 LYS 45 HD2 LYS 45 1.774 16.758 -28.630 258 HD3 LYS 45 HD3 LYS 45 0.209 16.452 -27.873 259 HE2 LYS 45 HE2 LYS 45 -0.139 18.280 -29.312 260 HE3 LYS 45 HE3 LYS 45 -0.029 18.973 -27.695 261 HZ1 LYS 45 HZ1 LYS 45 1.463 19.663 -29.913 262 HZ2 LYS 45 HZ2 LYS 45 2.533 18.845 -28.890 263 HZ3 LYS 45 HZ3 LYS 45 1.689 20.197 -28.324 264 H GLU 46 H GLU 46 5.794 17.997 -27.222 265 HA GLU 46 HA GLU 46 6.603 15.851 -28.806 266 HB2 GLU 46 HB2 GLU 46 8.609 17.212 -29.308 267 HB3 GLU 46 HB3 GLU 46 7.115 18.131 -29.428 268 HG2 GLU 46 HG2 GLU 46 7.532 19.275 -27.418 269 HG3 GLU 46 HG3 GLU 46 8.812 18.155 -26.955 270 H ASP 47 H ASP 47 7.529 16.763 -25.586 271 HA ASP 47 HA ASP 47 9.977 15.554 -25.261 272 HB2 ASP 47 HB2 ASP 47 7.740 16.271 -23.509 273 HB3 ASP 47 HB3 ASP 47 8.705 14.929 -22.901 274 H HIS 48 H HIS 48 6.794 14.018 -24.796 275 HA HIS 48 HA HIS 48 8.081 11.394 -24.778 276 HB2 HIS 48 HB2 HIS 48 5.914 10.539 -24.043 277 HB3 HIS 48 HB3 HIS 48 6.417 11.888 -23.028 278 HD1 HIS 48 HD1 HIS 48 4.976 13.997 -23.067 279 HD2 HIS 48 HD2 HIS 48 3.693 11.063 -25.714 280 HE1 HIS 48 HE1 HIS 48 2.703 14.741 -23.845 281 H HIS 49 H HIS 49 7.624 13.196 -27.187 282 HA HIS 49 HA HIS 49 6.930 13.046 -29.359 283 HB2 HIS 49 HB2 HIS 49 7.502 10.142 -28.741 284 HB3 HIS 49 HB3 HIS 49 7.246 10.773 -30.365 285 HD1 HIS 49 HD1 HIS 49 9.394 11.068 -31.528 286 HD2 HIS 49 HD2 HIS 49 9.728 11.879 -27.467 287 HE1 HIS 49 HE1 HIS 49 11.795 11.722 -31.169 288 H CYS 50 H CYS 50 4.747 13.542 -28.107 289 HA CYS 50 HA CYS 50 2.725 11.657 -27.889 290 HB2 CYS 50 HB2 CYS 50 2.729 14.124 -27.176 291 HB3 CYS 50 HB3 CYS 50 2.225 14.476 -28.826 292 H ARG 51 H ARG 51 1.530 10.539 -29.293 293 HA ARG 51 HA ARG 51 2.129 10.329 -31.985 294 HB2 ARG 51 HB2 ARG 51 0.231 9.203 -30.183 295 HB3 ARG 51 HB3 ARG 51 -0.626 9.681 -31.643 296 HG2 ARG 51 HG2 ARG 51 0.002 7.689 -32.426 297 HG3 ARG 51 HG3 ARG 51 1.576 8.448 -32.671 298 HD2 ARG 51 HD2 ARG 51 2.490 7.467 -30.794 299 HD3 ARG 51 HD3 ARG 51 0.922 7.252 -30.017 300 HE ARG 51 HE ARG 51 0.692 5.239 -31.095 301 HH11 ARG 51 HH11 ARG 51 3.327 7.022 -32.508 302 HH12 ARG 51 HH12 ARG 51 3.885 5.691 -33.467 303 HH21 ARG 51 HH21 ARG 51 1.417 3.479 -32.353 304 HH22 ARG 51 HH22 ARG 51 2.797 3.677 -33.379 305 H TRP 52 H TRP 52 -0.177 12.429 -30.371 306 HA TRP 52 HA TRP 52 -1.596 13.312 -32.623 307 HB2 TRP 52 HB2 TRP 52 -2.141 13.699 -30.156 308 HB3 TRP 52 HB3 TRP 52 -0.987 15.029 -30.219 309 HD1 TRP 52 HD1 TRP 52 -4.509 14.082 -31.231 310 HE1 TRP 52 HE1 TRP 52 -5.699 16.152 -32.192 311 HE3 TRP 52 HE3 TRP 52 -0.503 17.242 -31.560 312 HZ2 TRP 52 HZ2 TRP 52 -5.029 18.777 -32.985 313 HZ3 TRP 52 HZ3 TRP 52 -0.863 19.515 -32.431 314 HH2 TRP 52 HH2 TRP 52 -3.079 20.264 -33.129 315 H LEU 53 H LEU 53 1.416 14.440 -31.171 316 HA LEU 53 HA LEU 53 1.717 16.764 -32.739 317 HB2 LEU 53 HB2 LEU 53 3.290 15.237 -30.850 318 HB3 LEU 53 HB3 LEU 53 4.283 15.849 -32.171 319 HG LEU 53 HG LEU 53 2.575 17.495 -30.307 320 HD11 LEU 53 HD11 LEU 53 4.708 16.520 -29.399 321 HD12 LEU 53 HD12 LEU 53 4.604 18.280 -29.370 322 HD13 LEU 53 HD13 LEU 53 5.568 17.475 -30.608 323 HD21 LEU 53 HD21 LEU 53 4.011 19.330 -31.521 324 HD22 LEU 53 HD22 LEU 53 2.495 18.758 -32.217 325 HD23 LEU 53 HD23 LEU 53 4.032 18.140 -32.823 326 H LEU 54 H LEU 54 2.619 13.406 -33.259 327 HA LEU 54 HA LEU 54 4.194 13.889 -35.584 328 HB2 LEU 54 HB2 LEU 54 2.809 11.295 -35.047 329 HB3 LEU 54 HB3 LEU 54 4.389 11.584 -35.773 330 HG LEU 54 HG LEU 54 3.679 11.828 -32.851 331 HD11 LEU 54 HD11 LEU 54 4.681 9.820 -32.511 332 HD12 LEU 54 HD12 LEU 54 5.770 10.001 -33.886 333 HD13 LEU 54 HD13 LEU 54 4.086 9.547 -34.148 334 HD21 LEU 54 HD21 LEU 54 5.361 13.300 -32.790 335 HD22 LEU 54 HD22 LEU 54 5.901 12.892 -34.419 336 HD23 LEU 54 HD23 LEU 54 6.408 11.904 -33.048 337 H GLU 55 H GLU 55 0.928 12.521 -35.150 338 HA GLU 55 HA GLU 55 0.287 12.367 -37.872 339 HB2 GLU 55 HB2 GLU 55 -2.015 12.127 -37.165 340 HB3 GLU 55 HB3 GLU 55 -0.972 11.226 -36.074 341 HG2 GLU 55 HG2 GLU 55 -1.063 13.248 -34.549 342 HG3 GLU 55 HG3 GLU 55 -2.370 13.833 -35.577 343 H HIS 56 H HIS 56 -0.011 14.994 -35.557 344 HA HIS 56 HA HIS 56 -0.880 16.752 -37.758 345 HB2 HIS 56 HB2 HIS 56 -1.801 16.544 -34.937 346 HB3 HIS 56 HB3 HIS 56 -1.697 18.158 -35.633 347 HD1 HIS 56 HD1 HIS 56 -4.126 18.673 -35.962 348 HD2 HIS 56 HD2 HIS 56 -3.052 14.986 -37.549 349 HE1 HIS 56 HE1 HIS 56 -6.142 17.877 -37.239 350 H GLU 57 H GLU 57 1.356 17.133 -38.237 351 HA GLU 57 HA GLU 57 3.087 18.295 -36.268 352 HB2 GLU 57 HB2 GLU 57 3.261 17.704 -39.188 353 HB3 GLU 57 HB3 GLU 57 4.387 18.869 -38.506 354 HG2 GLU 57 HG2 GLU 57 4.422 16.690 -36.760 355 HG3 GLU 57 HG3 GLU 57 4.426 16.003 -38.384 356 H GLU 58 H GLU 58 2.058 20.126 -35.476 357 HA GLU 58 HA GLU 58 1.036 22.176 -37.178 358 HB2 GLU 58 HB2 GLU 58 0.659 23.432 -35.178 359 HB3 GLU 58 HB3 GLU 58 0.276 21.752 -34.827 360 HG2 GLU 58 HG2 GLU 58 2.555 21.525 -33.831 361 HG3 GLU 58 HG3 GLU 58 2.746 23.266 -34.025 362 H VAL 59 H VAL 59 1.901 24.541 -36.511 363 HA VAL 59 HA VAL 59 4.554 24.658 -37.631 364 HB VAL 59 HB VAL 59 2.753 26.886 -36.668 365 HG11 VAL 59 HG11 VAL 59 4.455 27.928 -38.555 366 HG12 VAL 59 HG12 VAL 59 4.611 28.122 -36.808 367 HG13 VAL 59 HG13 VAL 59 5.502 26.846 -37.637 368 HG21 VAL 59 HG21 VAL 59 1.661 26.748 -38.600 369 HG22 VAL 59 HG22 VAL 59 3.167 26.722 -39.517 370 HG23 VAL 59 HG23 VAL 59 2.490 25.219 -38.890
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