NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
492416 | 2k9o | 15992 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -8.066 -10.980 3.707 2 H2 ALA 1 H2 ALA 1 -8.850 -9.684 3.035 3 H3 ALA 1 H3 ALA 1 -9.435 -10.407 4.400 4 HA ALA 1 HA ALA 1 -8.377 -8.317 4.884 5 HB1 ALA 1 HB1 ALA 1 -8.413 -10.054 6.627 6 HB2 ALA 1 HB2 ALA 1 -6.913 -10.750 5.970 7 HB3 ALA 1 HB3 ALA 1 -6.895 -9.141 6.689 8 H ALA 2 H ALA 2 -6.573 -6.962 4.846 9 HA ALA 2 HA ALA 2 -4.026 -7.982 3.914 10 HB1 ALA 2 HB1 ALA 2 -5.478 -7.257 1.794 11 HB2 ALA 2 HB2 ALA 2 -4.914 -5.643 2.290 12 HB3 ALA 2 HB3 ALA 2 -3.750 -6.920 1.916 13 H ALA 3 H ALA 3 -2.395 -5.983 3.759 14 HA ALA 3 HA ALA 3 -2.410 -5.272 6.489 15 HB1 ALA 3 HB1 ALA 3 -0.349 -4.669 4.331 16 HB2 ALA 3 HB2 ALA 3 -0.057 -4.619 6.083 17 HB3 ALA 3 HB3 ALA 3 -0.438 -6.158 5.302 18 H ILE 4 H ILE 4 -3.630 -3.281 4.102 19 HA ILE 4 HA ILE 4 -3.757 -1.082 6.015 20 HB ILE 4 HB ILE 4 -3.188 0.627 4.390 21 HG12 ILE 4 HG12 ILE 4 -1.631 -1.203 2.638 22 HG13 ILE 4 HG13 ILE 4 -3.359 -1.285 2.424 23 HG21 ILE 4 HG21 ILE 4 -0.781 0.562 4.502 24 HG22 ILE 4 HG22 ILE 4 -1.482 -0.017 6.022 25 HG23 ILE 4 HG23 ILE 4 -0.798 -1.175 4.855 26 HD11 ILE 4 HD11 ILE 4 -1.699 1.218 2.147 27 HD12 ILE 4 HD12 ILE 4 -2.572 0.332 0.876 28 HD13 ILE 4 HD13 ILE 4 -3.477 1.192 2.118 29 H SER 5 H SER 5 -5.362 0.515 5.456 30 HA SER 5 HA SER 5 -7.481 -0.345 3.586 31 HB2 SER 5 HB2 SER 5 -7.229 2.063 5.400 32 HB3 SER 5 HB3 SER 5 -8.590 1.765 4.288 33 HG SER 5 HG SER 5 -9.093 0.898 6.292 34 H CYS 6 H CYS 6 -7.391 0.048 1.508 35 HA CYS 6 HA CYS 6 -5.219 1.539 0.304 36 HB2 CYS 6 HB2 CYS 6 -6.320 -0.492 -0.585 37 HB3 CYS 6 HB3 CYS 6 -7.774 0.452 -0.914 38 H VAL 7 H VAL 7 -8.624 2.270 0.872 39 HA VAL 7 HA VAL 7 -9.048 4.569 -0.629 40 HB VAL 7 HB VAL 7 -10.898 5.009 0.996 41 HG11 VAL 7 HG11 VAL 7 -10.643 2.086 0.186 42 HG12 VAL 7 HG12 VAL 7 -12.134 2.990 0.538 43 HG13 VAL 7 HG13 VAL 7 -11.157 3.424 -0.869 44 HG21 VAL 7 HG21 VAL 7 -9.866 2.575 2.533 45 HG22 VAL 7 HG22 VAL 7 -9.804 4.258 3.120 46 HG23 VAL 7 HG23 VAL 7 -11.355 3.479 2.823 47 H GLY 8 H GLY 8 -7.077 4.551 2.192 48 HA2 GLY 8 HA2 GLY 8 -7.746 6.685 3.711 49 HA3 GLY 8 HA3 GLY 8 -6.088 6.216 3.365 50 H SER 9 H SER 9 -4.947 7.249 1.630 51 HA SER 9 HA SER 9 -6.049 9.716 0.461 52 HB2 SER 9 HB2 SER 9 -3.957 9.722 2.609 53 HB3 SER 9 HB3 SER 9 -3.761 10.848 1.229 54 HG SER 9 HG SER 9 -5.004 12.008 2.460 55 HA PRO 10 HA PRO 10 -2.341 8.192 -2.091 56 HB2 PRO 10 HB2 PRO 10 -0.380 6.634 -1.111 57 HB3 PRO 10 HB3 PRO 10 -0.393 8.393 -0.732 58 HG2 PRO 10 HG2 PRO 10 -1.473 6.106 0.937 59 HG3 PRO 10 HG3 PRO 10 -0.331 7.381 1.478 60 HD2 PRO 10 HD2 PRO 10 -3.045 7.522 1.906 61 HD3 PRO 10 HD3 PRO 10 -2.060 8.978 1.551 62 H GLU 11 H GLU 11 -1.923 5.966 -3.210 63 HA GLU 11 HA GLU 11 -4.083 4.097 -2.731 64 HB2 GLU 11 HB2 GLU 11 -1.569 3.827 -4.408 65 HB3 GLU 11 HB3 GLU 11 -2.857 2.631 -4.345 66 HG2 GLU 11 HG2 GLU 11 -4.468 4.131 -5.294 67 HG3 GLU 11 HG3 GLU 11 -3.401 5.521 -5.127 68 H CYS 12 H CYS 12 -0.507 3.369 -2.384 69 HA CYS 12 HA CYS 12 -1.222 1.816 0.024 70 HB2 CYS 12 HB2 CYS 12 -1.975 0.370 -1.697 71 HB3 CYS 12 HB3 CYS 12 -0.459 0.474 -2.567 72 HA PRO 13 HA PRO 13 3.293 0.742 -0.086 73 HB2 PRO 13 HB2 PRO 13 5.060 2.193 -1.721 74 HB3 PRO 13 HB3 PRO 13 4.464 0.532 -1.957 75 HG2 PRO 13 HG2 PRO 13 3.474 3.081 -3.211 76 HG3 PRO 13 HG3 PRO 13 3.585 1.446 -3.927 77 HD2 PRO 13 HD2 PRO 13 1.227 2.480 -3.044 78 HD3 PRO 13 HD3 PRO 13 1.618 0.755 -2.881 79 HA PRO 14 HA PRO 14 4.811 4.945 1.591 80 HB2 PRO 14 HB2 PRO 14 3.500 7.271 1.213 81 HB3 PRO 14 HB3 PRO 14 4.584 6.588 -0.036 82 HG2 PRO 14 HG2 PRO 14 1.574 6.296 0.163 83 HG3 PRO 14 HG3 PRO 14 2.523 6.856 -1.256 84 HD2 PRO 14 HD2 PRO 14 1.701 4.274 -0.988 85 HD3 PRO 14 HD3 PRO 14 3.298 4.683 -1.701 86 H LYS 15 H LYS 15 1.769 3.584 1.853 87 HA LYS 15 HA LYS 15 1.123 4.836 4.487 88 HB2 LYS 15 HB2 LYS 15 -0.535 4.681 2.539 89 HB3 LYS 15 HB3 LYS 15 -0.588 2.949 2.858 90 HG2 LYS 15 HG2 LYS 15 -1.294 3.513 5.244 91 HG3 LYS 15 HG3 LYS 15 -1.389 5.207 4.741 92 HD2 LYS 15 HD2 LYS 15 -3.030 2.873 3.673 93 HD3 LYS 15 HD3 LYS 15 -3.595 4.153 4.728 94 HE2 LYS 15 HE2 LYS 15 -4.127 5.457 3.029 95 HE3 LYS 15 HE3 LYS 15 -2.481 5.436 2.431 96 HZ1 LYS 15 HZ1 LYS 15 -4.528 3.371 1.797 97 HZ2 LYS 15 HZ2 LYS 15 -4.081 4.567 0.759 98 HZ3 LYS 15 HZ3 LYS 15 -3.021 3.432 1.129 99 H CYS 16 H CYS 16 2.265 1.829 3.049 100 HA CYS 16 HA CYS 16 1.791 0.092 5.291 101 HB2 CYS 16 HB2 CYS 16 3.826 0.039 3.028 102 HB3 CYS 16 HB3 CYS 16 3.618 -1.278 4.184 103 H ARG 17 H ARG 17 4.378 2.394 4.634 104 HA ARG 17 HA ARG 17 5.176 2.562 7.389 105 HB2 ARG 17 HB2 ARG 17 7.557 2.124 7.047 106 HB3 ARG 17 HB3 ARG 17 6.591 0.670 6.735 107 HG2 ARG 17 HG2 ARG 17 6.821 0.994 4.304 108 HG3 ARG 17 HG3 ARG 17 7.657 2.528 4.568 109 HD2 ARG 17 HD2 ARG 17 9.230 0.835 3.983 110 HD3 ARG 17 HD3 ARG 17 9.531 1.400 5.627 111 HE ARG 17 HE ARG 17 7.807 -0.917 5.666 112 HH11 ARG 17 HH11 ARG 17 11.243 -0.234 5.198 113 HH12 ARG 17 HH12 ARG 17 11.661 -1.613 6.217 114 HH21 ARG 17 HH21 ARG 17 8.418 -2.694 6.499 115 HH22 ARG 17 HH22 ARG 17 10.105 -3.185 6.584 116 H ALA 18 H ALA 18 6.819 4.277 7.656 117 HA ALA 18 HA ALA 18 5.882 6.671 6.521 118 HB1 ALA 18 HB1 ALA 18 6.881 6.426 8.753 119 HB2 ALA 18 HB2 ALA 18 8.454 6.034 8.028 120 HB3 ALA 18 HB3 ALA 18 7.756 7.664 7.826 121 H GLN 19 H GLN 19 9.027 5.072 5.856 122 HA GLN 19 HA GLN 19 9.695 6.950 3.698 123 HB2 GLN 19 HB2 GLN 19 11.710 5.708 3.435 124 HB3 GLN 19 HB3 GLN 19 11.468 6.209 5.099 125 HG2 GLN 19 HG2 GLN 19 10.645 3.420 4.197 126 HG3 GLN 19 HG3 GLN 19 12.318 3.829 4.538 127 HE21 GLN 19 HE22 GLN 19 12.963 4.330 6.760 128 HE22 GLN 19 HE21 GLN 19 11.866 3.968 8.088 129 H GLY 20 H GLY 20 7.484 4.616 3.753 130 HA2 GLY 20 HA2 GLY 20 6.293 3.516 2.245 131 HA3 GLY 20 HA3 GLY 20 7.196 4.281 0.929 132 H CYS 21 H CYS 21 6.068 1.604 1.259 133 HA CYS 21 HA CYS 21 8.358 -0.239 1.243 134 HB2 CYS 21 HB2 CYS 21 5.387 -0.504 0.766 135 HB3 CYS 21 HB3 CYS 21 6.475 -1.780 0.255 136 H LYS 22 H LYS 22 8.733 -1.645 -0.619 137 HA LYS 22 HA LYS 22 9.716 -0.060 -2.796 138 HB2 LYS 22 HB2 LYS 22 9.503 -3.041 -2.280 139 HB3 LYS 22 HB3 LYS 22 10.244 -2.390 -3.738 140 HG2 LYS 22 HG2 LYS 22 11.936 -3.022 -2.149 141 HG3 LYS 22 HG3 LYS 22 11.987 -1.284 -2.429 142 HD2 LYS 22 HD2 LYS 22 11.025 -0.816 -0.283 143 HD3 LYS 22 HD3 LYS 22 10.605 -2.519 -0.007 144 HE2 LYS 22 HE2 LYS 22 13.487 -1.700 -0.466 145 HE3 LYS 22 HE3 LYS 22 12.766 -1.398 1.113 146 HZ1 LYS 22 HZ1 LYS 22 12.531 -3.664 1.515 147 HZ2 LYS 22 HZ2 LYS 22 12.590 -4.086 -0.067 148 HZ3 LYS 22 HZ3 LYS 22 13.964 -3.594 0.709 149 H ASN 23 H ASN 23 7.022 -2.439 -2.680 150 HA ASN 23 HA ASN 23 5.530 -0.835 -4.617 151 HB2 ASN 23 HB2 ASN 23 6.988 -2.463 -5.979 152 HB3 ASN 23 HB3 ASN 23 6.085 -3.771 -5.245 153 HD21 ASN 23 HD22 ASN 23 5.874 -3.996 -7.782 154 HD22 ASN 23 HD21 ASN 23 4.283 -3.401 -8.298 155 H GLY 24 H GLY 24 3.277 -2.093 -4.975 156 HA2 GLY 24 HA2 GLY 24 2.441 -3.981 -2.978 157 HA3 GLY 24 HA3 GLY 24 1.746 -2.381 -2.676 158 H LYS 25 H LYS 25 0.024 -4.360 -3.132 159 HA LYS 25 HA LYS 25 -1.195 -3.637 -5.754 160 HB2 LYS 25 HB2 LYS 25 -0.035 -5.756 -6.087 161 HB3 LYS 25 HB3 LYS 25 -0.874 -6.456 -4.699 162 HG2 LYS 25 HG2 LYS 25 -1.836 -7.280 -6.716 163 HG3 LYS 25 HG3 LYS 25 -3.033 -6.265 -5.926 164 HD2 LYS 25 HD2 LYS 25 -2.787 -4.533 -7.546 165 HD3 LYS 25 HD3 LYS 25 -1.232 -5.170 -8.130 166 HE2 LYS 25 HE2 LYS 25 -2.243 -7.051 -9.174 167 HE3 LYS 25 HE3 LYS 25 -3.762 -6.843 -8.303 168 HZ1 LYS 25 HZ1 LYS 25 -2.808 -4.927 -10.358 169 HZ2 LYS 25 HZ2 LYS 25 -3.865 -6.157 -10.624 170 HZ3 LYS 25 HZ3 LYS 25 -4.273 -4.936 -9.596 171 H CYS 26 H CYS 26 -3.068 -2.817 -5.418 172 HA CYS 26 HA CYS 26 -4.732 -3.568 -3.079 173 HB2 CYS 26 HB2 CYS 26 -4.111 -1.288 -2.988 174 HB3 CYS 26 HB3 CYS 26 -4.365 -1.048 -4.707 175 H MET 27 H MET 27 -6.564 -4.676 -3.410 176 HA MET 27 HA MET 27 -7.519 -5.022 -6.233 177 HB2 MET 27 HB2 MET 27 -7.987 -6.845 -3.850 178 HB3 MET 27 HB3 MET 27 -8.538 -7.106 -5.493 179 HG2 MET 27 HG2 MET 27 -5.616 -6.880 -4.672 180 HG3 MET 27 HG3 MET 27 -6.482 -8.393 -4.864 181 HE1 MET 27 HE1 MET 27 -6.864 -9.639 -6.968 182 HE2 MET 27 HE2 MET 27 -8.119 -8.453 -7.391 183 HE3 MET 27 HE3 MET 27 -6.906 -8.934 -8.593 184 H ASN 28 H ASN 28 -8.976 -5.014 -2.936 185 HA ASN 28 HA ASN 28 -10.974 -3.040 -3.848 186 HB2 ASN 28 HB2 ASN 28 -11.917 -5.288 -4.393 187 HB3 ASN 28 HB3 ASN 28 -11.804 -5.713 -2.681 188 HD21 ASN 28 HD22 ASN 28 -14.226 -6.007 -3.498 189 HD22 ASN 28 HD21 ASN 28 -15.262 -4.615 -3.185 190 H ARG 29 H ARG 29 -10.966 -1.531 -2.376 191 HA ARG 29 HA ARG 29 -10.260 -0.244 -0.669 192 HB2 ARG 29 HB2 ARG 29 -11.423 -2.239 1.268 193 HB3 ARG 29 HB3 ARG 29 -11.405 -0.477 1.357 194 HG2 ARG 29 HG2 ARG 29 -13.077 -2.240 -0.407 195 HG3 ARG 29 HG3 ARG 29 -13.541 -1.295 0.997 196 HD2 ARG 29 HD2 ARG 29 -12.828 0.802 -0.332 197 HD3 ARG 29 HD3 ARG 29 -12.884 -0.254 -1.766 198 HE ARG 29 HE ARG 29 -15.164 0.595 -0.042 199 HH11 ARG 29 HH11 ARG 29 -14.369 -1.486 -2.773 200 HH12 ARG 29 HH12 ARG 29 -15.977 -1.317 -3.420 201 HH21 ARG 29 HH21 ARG 29 -17.113 0.372 -0.652 202 HH22 ARG 29 HH22 ARG 29 -17.554 -0.512 -2.116 203 H LYS 30 H LYS 30 -8.655 -3.198 -0.701 204 HA LYS 30 HA LYS 30 -6.937 -2.477 1.640 205 HB2 LYS 30 HB2 LYS 30 -8.076 -5.181 0.789 206 HB3 LYS 30 HB3 LYS 30 -6.912 -4.957 2.081 207 HG2 LYS 30 HG2 LYS 30 -9.736 -3.818 2.079 208 HG3 LYS 30 HG3 LYS 30 -9.180 -5.246 2.950 209 HD2 LYS 30 HD2 LYS 30 -7.574 -3.885 4.244 210 HD3 LYS 30 HD3 LYS 30 -8.112 -2.426 3.391 211 HE2 LYS 30 HE2 LYS 30 -10.380 -2.695 4.250 212 HE3 LYS 30 HE3 LYS 30 -9.884 -4.161 5.104 213 HZ1 LYS 30 HZ1 LYS 30 -9.777 -2.297 6.620 214 HZ2 LYS 30 HZ2 LYS 30 -8.226 -2.752 6.291 215 HZ3 LYS 30 HZ3 LYS 30 -8.875 -1.410 5.600 216 H CYS 31 H CYS 31 -4.781 -3.632 1.629 217 HA CYS 31 HA CYS 31 -3.818 -4.213 -1.113 218 HB2 CYS 31 HB2 CYS 31 -3.636 -1.715 -0.819 219 HB3 CYS 31 HB3 CYS 31 -2.602 -2.028 0.574 220 H LYS 32 H LYS 32 -2.000 -5.374 -1.267 221 HA LYS 32 HA LYS 32 -0.604 -6.332 1.208 222 HB2 LYS 32 HB2 LYS 32 -1.721 -8.073 -0.132 223 HB3 LYS 32 HB3 LYS 32 -0.805 -7.588 -1.566 224 HG2 LYS 32 HG2 LYS 32 1.310 -8.228 -0.496 225 HG3 LYS 32 HG3 LYS 32 0.473 -8.590 1.005 226 HD2 LYS 32 HD2 LYS 32 0.035 -10.097 -1.605 227 HD3 LYS 32 HD3 LYS 32 1.056 -10.626 -0.253 228 HE2 LYS 32 HE2 LYS 32 -1.069 -10.352 1.190 229 HE3 LYS 32 HE3 LYS 32 -1.952 -10.274 -0.347 230 HZ1 LYS 32 HZ1 LYS 32 -1.946 -12.523 0.440 231 HZ2 LYS 32 HZ2 LYS 32 -0.930 -12.508 -0.853 232 HZ3 LYS 32 HZ3 LYS 32 -0.342 -12.534 0.668 233 H CYS 33 H CYS 33 1.518 -5.806 1.450 234 HA CYS 33 HA CYS 33 2.735 -4.046 -0.644 235 HB2 CYS 33 HB2 CYS 33 2.716 -3.985 2.304 236 HB3 CYS 33 HB3 CYS 33 4.290 -3.691 1.574 237 H TYR 34 H TYR 34 4.682 -4.422 -1.562 238 HA TYR 34 HA TYR 34 5.727 -7.213 -1.286 239 HB2 TYR 34 HB2 TYR 34 5.557 -5.406 -3.712 240 HB3 TYR 34 HB3 TYR 34 6.211 -7.035 -3.697 241 HD1 TYR 34 HD1 TYR 34 3.992 -8.327 -1.903 242 HD2 TYR 34 HD2 TYR 34 3.949 -5.808 -5.427 243 HE1 TYR 34 HE1 TYR 34 1.852 -9.317 -2.599 244 HE2 TYR 34 HE2 TYR 34 1.820 -6.859 -6.128 245 HH TYR 34 HH TYR 34 0.203 -8.482 -5.626 246 H TYR 35 H TYR 35 7.793 -7.688 -1.858 247 HA TYR 35 HA TYR 35 10.005 -7.609 -1.402 248 HB2 TYR 35 HB2 TYR 35 9.908 -5.035 -2.971 249 HB3 TYR 35 HB3 TYR 35 11.254 -6.163 -2.872 250 HD1 TYR 35 HD2 TYR 35 10.772 -8.586 -3.833 251 HD2 TYR 35 HD1 TYR 35 8.448 -5.076 -4.742 252 HE1 TYR 35 HE2 TYR 35 9.895 -9.695 -5.891 253 HE2 TYR 35 HE1 TYR 35 7.558 -6.196 -6.796 254 HH TYR 35 HH TYR 35 7.594 -8.088 -8.114 255 H CYS 36 H CYS 36 8.480 -6.489 0.745 256 HA CYS 36 HA CYS 36 10.303 -4.428 1.920 257 HB2 CYS 36 HB2 CYS 36 8.385 -3.442 0.669 258 HB3 CYS 36 HB3 CYS 36 7.275 -4.326 1.704 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 4.524 -6.319 5.541 2 H2 ALA 1 H2 ALA 1 4.640 -6.066 7.170 3 H3 ALA 1 H3 ALA 1 5.476 -5.110 6.104 4 HA ALA 1 HA ALA 1 3.633 -3.923 6.980 5 HB1 ALA 1 HB1 ALA 1 2.618 -3.225 4.850 6 HB2 ALA 1 HB2 ALA 1 4.364 -3.447 4.683 7 HB3 ALA 1 HB3 ALA 1 3.255 -4.673 4.044 8 H ALA 2 H ALA 2 0.935 -3.991 5.696 9 HA ALA 2 HA ALA 2 -0.268 -6.479 6.687 10 HB1 ALA 2 HB1 ALA 2 -0.903 -3.684 7.780 11 HB2 ALA 2 HB2 ALA 2 -1.786 -5.181 8.179 12 HB3 ALA 2 HB3 ALA 2 -0.099 -4.976 8.687 13 H ALA 3 H ALA 3 -2.729 -6.371 6.090 14 HA ALA 3 HA ALA 3 -3.008 -4.982 3.509 15 HB1 ALA 3 HB1 ALA 3 -3.988 -7.174 3.728 16 HB2 ALA 3 HB2 ALA 3 -5.098 -6.536 4.979 17 HB3 ALA 3 HB3 ALA 3 -5.164 -5.889 3.331 18 H ILE 4 H ILE 4 -3.420 -2.999 3.352 19 HA ILE 4 HA ILE 4 -4.725 -1.407 5.483 20 HB ILE 4 HB ILE 4 -3.629 0.467 4.251 21 HG12 ILE 4 HG12 ILE 4 -2.217 -1.623 2.551 22 HG13 ILE 4 HG13 ILE 4 -3.693 -0.835 1.993 23 HG21 ILE 4 HG21 ILE 4 -1.359 -0.083 4.958 24 HG22 ILE 4 HG22 ILE 4 -2.506 -0.779 6.105 25 HG23 ILE 4 HG23 ILE 4 -1.731 -1.827 4.905 26 HD11 ILE 4 HD11 ILE 4 -1.251 0.704 2.806 27 HD12 ILE 4 HD12 ILE 4 -1.613 0.172 1.161 28 HD13 ILE 4 HD13 ILE 4 -2.708 1.328 1.964 29 H SER 5 H SER 5 -5.945 0.490 4.780 30 HA SER 5 HA SER 5 -8.037 -0.106 2.788 31 HB2 SER 5 HB2 SER 5 -7.488 2.435 4.383 32 HB3 SER 5 HB3 SER 5 -8.917 2.094 3.395 33 HG SER 5 HG SER 5 -9.268 0.244 4.751 34 H CYS 6 H CYS 6 -7.418 -0.006 0.683 35 HA CYS 6 HA CYS 6 -5.309 1.575 -0.465 36 HB2 CYS 6 HB2 CYS 6 -6.415 -0.415 -1.474 37 HB3 CYS 6 HB3 CYS 6 -7.879 0.522 -1.694 38 H VAL 7 H VAL 7 -8.797 2.170 -0.185 39 HA VAL 7 HA VAL 7 -9.155 4.645 -1.378 40 HB VAL 7 HB VAL 7 -11.079 4.863 0.259 41 HG11 VAL 7 HG11 VAL 7 -12.309 2.960 -0.617 42 HG12 VAL 7 HG12 VAL 7 -11.313 3.711 -1.880 43 HG13 VAL 7 HG13 VAL 7 -10.795 2.184 -1.129 44 HG21 VAL 7 HG21 VAL 7 -11.645 3.045 1.738 45 HG22 VAL 7 HG22 VAL 7 -10.188 2.142 1.299 46 HG23 VAL 7 HG23 VAL 7 -10.061 3.668 2.215 47 H GLY 8 H GLY 8 -7.499 4.164 1.598 48 HA2 GLY 8 HA2 GLY 8 -8.179 5.992 3.404 49 HA3 GLY 8 HA3 GLY 8 -6.493 5.626 3.046 50 H SER 9 H SER 9 -5.192 6.984 1.941 51 HA SER 9 HA SER 9 -6.261 9.665 1.194 52 HB2 SER 9 HB2 SER 9 -4.266 9.162 3.384 53 HB3 SER 9 HB3 SER 9 -4.301 10.698 2.466 54 HG SER 9 HG SER 9 -6.339 9.492 4.073 55 HA PRO 10 HA PRO 10 -2.371 8.725 -1.385 56 HB2 PRO 10 HB2 PRO 10 -0.405 7.098 -0.550 57 HB3 PRO 10 HB3 PRO 10 -0.526 8.761 0.127 58 HG2 PRO 10 HG2 PRO 10 -1.615 6.174 1.275 59 HG3 PRO 10 HG3 PRO 10 -0.558 7.365 2.117 60 HD2 PRO 10 HD2 PRO 10 -3.304 7.349 2.361 61 HD3 PRO 10 HD3 PRO 10 -2.344 8.871 2.347 62 H GLU 11 H GLU 11 -1.508 6.551 -2.629 63 HA GLU 11 HA GLU 11 -3.746 4.688 -2.728 64 HB2 GLU 11 HB2 GLU 11 -1.161 4.238 -4.217 65 HB3 GLU 11 HB3 GLU 11 -2.772 3.651 -4.545 66 HG2 GLU 11 HG2 GLU 11 -3.481 6.047 -4.977 67 HG3 GLU 11 HG3 GLU 11 -1.777 6.505 -4.847 68 H CYS 12 H CYS 12 -0.285 3.607 -2.419 69 HA CYS 12 HA CYS 12 -1.231 1.750 -0.294 70 HB2 CYS 12 HB2 CYS 12 -0.158 0.813 -2.956 71 HB3 CYS 12 HB3 CYS 12 -0.403 -0.190 -1.532 72 HA PRO 13 HA PRO 13 3.347 0.775 -0.136 73 HB2 PRO 13 HB2 PRO 13 5.215 2.377 -1.484 74 HB3 PRO 13 HB3 PRO 13 4.627 0.760 -1.958 75 HG2 PRO 13 HG2 PRO 13 3.720 3.452 -2.957 76 HG3 PRO 13 HG3 PRO 13 3.909 1.916 -3.855 77 HD2 PRO 13 HD2 PRO 13 1.472 2.811 -3.046 78 HD3 PRO 13 HD3 PRO 13 1.890 1.082 -3.084 79 HA PRO 14 HA PRO 14 4.544 4.829 2.034 80 HB2 PRO 14 HB2 PRO 14 3.134 7.113 1.823 81 HB3 PRO 14 HB3 PRO 14 4.292 6.611 0.549 82 HG2 PRO 14 HG2 PRO 14 1.304 6.142 0.593 83 HG3 PRO 14 HG3 PRO 14 2.270 6.927 -0.704 84 HD2 PRO 14 HD2 PRO 14 1.618 4.306 -0.778 85 HD3 PRO 14 HD3 PRO 14 3.223 4.875 -1.350 86 H LYS 15 H LYS 15 1.436 3.464 1.868 87 HA LYS 15 HA LYS 15 0.659 4.291 4.646 88 HB2 LYS 15 HB2 LYS 15 -0.909 4.709 2.774 89 HB3 LYS 15 HB3 LYS 15 -1.002 2.981 2.459 90 HG2 LYS 15 HG2 LYS 15 -1.853 2.713 4.869 91 HG3 LYS 15 HG3 LYS 15 -1.868 4.471 4.975 92 HD2 LYS 15 HD2 LYS 15 -3.659 2.641 3.359 93 HD3 LYS 15 HD3 LYS 15 -4.083 3.821 4.560 94 HE2 LYS 15 HE2 LYS 15 -4.507 5.305 3.001 95 HE3 LYS 15 HE3 LYS 15 -2.816 5.342 2.558 96 HZ1 LYS 15 HZ1 LYS 15 -4.841 3.493 1.405 97 HZ2 LYS 15 HZ2 LYS 15 -4.258 4.813 0.630 98 HZ3 LYS 15 HZ3 LYS 15 -3.282 3.580 0.889 99 H CYS 16 H CYS 16 1.550 1.505 2.663 100 HA CYS 16 HA CYS 16 1.018 -0.579 4.494 101 HB2 CYS 16 HB2 CYS 16 3.188 -0.140 2.424 102 HB3 CYS 16 HB3 CYS 16 3.003 -1.652 3.305 103 H ARG 17 H ARG 17 3.699 1.777 4.552 104 HA ARG 17 HA ARG 17 4.284 1.130 7.328 105 HB2 ARG 17 HB2 ARG 17 6.629 0.706 7.059 106 HB3 ARG 17 HB3 ARG 17 5.736 -0.461 6.083 107 HG2 ARG 17 HG2 ARG 17 6.169 1.016 4.051 108 HG3 ARG 17 HG3 ARG 17 7.214 2.014 5.073 109 HD2 ARG 17 HD2 ARG 17 7.579 -0.953 4.608 110 HD3 ARG 17 HD3 ARG 17 8.450 0.314 3.724 111 HE ARG 17 HE ARG 17 8.634 0.348 6.680 112 HH11 ARG 17 HH11 ARG 17 10.323 -0.603 3.735 113 HH12 ARG 17 HH12 ARG 17 11.776 -0.939 4.651 114 HH21 ARG 17 HH21 ARG 17 10.404 -0.073 7.665 115 HH22 ARG 17 HH22 ARG 17 11.921 -0.275 6.794 116 H ALA 18 H ALA 18 6.132 2.649 8.107 117 HA ALA 18 HA ALA 18 5.260 5.318 7.821 118 HB1 ALA 18 HB1 ALA 18 7.799 4.117 9.001 119 HB2 ALA 18 HB2 ALA 18 7.221 5.767 9.289 120 HB3 ALA 18 HB3 ALA 18 6.255 4.384 9.833 121 H GLN 19 H GLN 19 8.137 3.774 6.435 122 HA GLN 19 HA GLN 19 8.947 6.257 5.030 123 HB2 GLN 19 HB2 GLN 19 11.174 5.368 5.100 124 HB3 GLN 19 HB3 GLN 19 10.465 5.488 6.699 125 HG2 GLN 19 HG2 GLN 19 10.377 2.863 5.153 126 HG3 GLN 19 HG3 GLN 19 11.801 3.393 6.024 127 HE21 GLN 19 HE22 GLN 19 11.784 3.385 8.387 128 HE22 GLN 19 HE21 GLN 19 10.429 2.660 9.256 129 H GLY 20 H GLY 20 7.172 3.884 4.086 130 HA2 GLY 20 HA2 GLY 20 6.376 3.544 1.938 131 HA3 GLY 20 HA3 GLY 20 7.855 4.190 1.244 132 H CYS 21 H CYS 21 6.012 1.559 1.236 133 HA CYS 21 HA CYS 21 8.021 -0.566 1.367 134 HB2 CYS 21 HB2 CYS 21 5.128 -0.443 0.543 135 HB3 CYS 21 HB3 CYS 21 6.092 -1.868 0.226 136 H LYS 22 H LYS 22 8.310 -2.065 -0.457 137 HA LYS 22 HA LYS 22 9.654 -0.763 -2.619 138 HB2 LYS 22 HB2 LYS 22 8.910 -3.657 -2.039 139 HB3 LYS 22 HB3 LYS 22 9.980 -3.173 -3.370 140 HG2 LYS 22 HG2 LYS 22 11.763 -2.873 -2.022 141 HG3 LYS 22 HG3 LYS 22 10.844 -1.979 -0.814 142 HD2 LYS 22 HD2 LYS 22 9.936 -4.049 0.120 143 HD3 LYS 22 HD3 LYS 22 10.797 -5.002 -1.113 144 HE2 LYS 22 HE2 LYS 22 12.945 -4.393 -0.225 145 HE3 LYS 22 HE3 LYS 22 12.237 -3.181 0.852 146 HZ1 LYS 22 HZ1 LYS 22 11.219 -4.905 2.143 147 HZ2 LYS 22 HZ2 LYS 22 11.510 -6.049 1.061 148 HZ3 LYS 22 HZ3 LYS 22 12.773 -5.400 1.917 149 H ASN 23 H ASN 23 6.762 -2.877 -2.801 150 HA ASN 23 HA ASN 23 5.596 -1.063 -4.826 151 HB2 ASN 23 HB2 ASN 23 6.908 -3.220 -5.828 152 HB3 ASN 23 HB3 ASN 23 5.393 -4.002 -5.431 153 HD21 ASN 23 HD22 ASN 23 6.860 -3.048 -8.041 154 HD22 ASN 23 HD21 ASN 23 5.515 -2.313 -8.907 155 H GLY 24 H GLY 24 3.223 -1.891 -5.314 156 HA2 GLY 24 HA2 GLY 24 1.971 -3.497 -3.246 157 HA3 GLY 24 HA3 GLY 24 1.521 -1.790 -3.141 158 H LYS 25 H LYS 25 -0.331 -3.861 -3.585 159 HA LYS 25 HA LYS 25 -1.413 -3.050 -6.226 160 HB2 LYS 25 HB2 LYS 25 -0.144 -5.263 -6.378 161 HB3 LYS 25 HB3 LYS 25 -1.335 -5.949 -5.275 162 HG2 LYS 25 HG2 LYS 25 -1.964 -6.572 -7.486 163 HG3 LYS 25 HG3 LYS 25 -3.124 -5.330 -6.992 164 HD2 LYS 25 HD2 LYS 25 -1.715 -3.619 -8.238 165 HD3 LYS 25 HD3 LYS 25 -0.667 -4.948 -8.742 166 HE2 LYS 25 HE2 LYS 25 -2.656 -6.006 -9.880 167 HE3 LYS 25 HE3 LYS 25 -3.617 -4.586 -9.411 168 HZ1 LYS 25 HZ1 LYS 25 -1.212 -4.566 -11.129 169 HZ2 LYS 25 HZ2 LYS 25 -2.734 -4.296 -11.660 170 HZ3 LYS 25 HZ3 LYS 25 -2.023 -3.212 -10.661 171 H CYS 26 H CYS 26 -3.466 -2.546 -6.211 172 HA CYS 26 HA CYS 26 -4.958 -2.726 -3.689 173 HB2 CYS 26 HB2 CYS 26 -4.480 -0.585 -4.767 174 HB3 CYS 26 HB3 CYS 26 -5.328 -1.095 -6.205 175 H MET 27 H MET 27 -6.731 -3.780 -3.317 176 HA MET 27 HA MET 27 -7.983 -5.557 -5.320 177 HB2 MET 27 HB2 MET 27 -8.255 -5.368 -2.287 178 HB3 MET 27 HB3 MET 27 -9.076 -6.546 -3.314 179 HG2 MET 27 HG2 MET 27 -7.288 -7.749 -2.531 180 HG3 MET 27 HG3 MET 27 -6.770 -7.257 -4.136 181 HE1 MET 27 HE1 MET 27 -3.300 -7.210 -2.614 182 HE2 MET 27 HE2 MET 27 -4.570 -8.447 -2.463 183 HE3 MET 27 HE3 MET 27 -4.325 -7.594 -4.006 184 H ASN 28 H ASN 28 -10.616 -5.484 -3.732 185 HA ASN 28 HA ASN 28 -11.901 -3.461 -5.314 186 HB2 ASN 28 HB2 ASN 28 -13.053 -5.519 -4.719 187 HB3 ASN 28 HB3 ASN 28 -12.905 -5.148 -2.998 188 HD21 ASN 28 HD22 ASN 28 -14.436 -3.965 -6.050 189 HD22 ASN 28 HD21 ASN 28 -15.825 -3.317 -5.150 190 H ARG 29 H ARG 29 -10.941 -3.500 -1.938 191 HA ARG 29 HA ARG 29 -10.473 -0.594 -2.094 192 HB2 ARG 29 HB2 ARG 29 -11.572 -0.061 0.042 193 HB3 ARG 29 HB3 ARG 29 -12.691 -0.502 -1.211 194 HG2 ARG 29 HG2 ARG 29 -12.994 -2.755 -0.231 195 HG3 ARG 29 HG3 ARG 29 -11.713 -2.416 0.952 196 HD2 ARG 29 HD2 ARG 29 -13.070 -0.486 1.804 197 HD3 ARG 29 HD3 ARG 29 -14.392 -1.000 0.746 198 HE ARG 29 HE ARG 29 -13.210 -2.561 3.027 199 HH11 ARG 29 HH11 ARG 29 -16.040 -2.216 0.898 200 HH12 ARG 29 HH12 ARG 29 -17.005 -3.131 2.052 201 HH21 ARG 29 HH21 ARG 29 -14.507 -3.800 4.212 202 HH22 ARG 29 HH22 ARG 29 -16.219 -3.948 3.787 203 H LYS 30 H LYS 30 -9.530 -3.645 -0.935 204 HA LYS 30 HA LYS 30 -7.770 -2.549 1.177 205 HB2 LYS 30 HB2 LYS 30 -8.259 -5.387 0.205 206 HB3 LYS 30 HB3 LYS 30 -7.060 -4.943 1.442 207 HG2 LYS 30 HG2 LYS 30 -8.842 -3.894 2.813 208 HG3 LYS 30 HG3 LYS 30 -10.055 -4.401 1.633 209 HD2 LYS 30 HD2 LYS 30 -9.532 -6.767 2.051 210 HD3 LYS 30 HD3 LYS 30 -8.231 -6.290 3.178 211 HE2 LYS 30 HE2 LYS 30 -9.853 -5.124 4.599 212 HE3 LYS 30 HE3 LYS 30 -11.171 -5.543 3.490 213 HZ1 LYS 30 HZ1 LYS 30 -9.550 -7.503 5.026 214 HZ2 LYS 30 HZ2 LYS 30 -11.128 -7.073 5.329 215 HZ3 LYS 30 HZ3 LYS 30 -10.740 -7.899 3.987 216 H CYS 31 H CYS 31 -5.424 -3.163 1.145 217 HA CYS 31 HA CYS 31 -4.316 -3.606 -1.566 218 HB2 CYS 31 HB2 CYS 31 -4.443 -1.033 -0.810 219 HB3 CYS 31 HB3 CYS 31 -2.965 -1.466 0.034 220 H LYS 32 H LYS 32 -2.386 -4.671 -1.639 221 HA LYS 32 HA LYS 32 -1.007 -5.292 0.952 222 HB2 LYS 32 HB2 LYS 32 -2.268 -7.251 0.112 223 HB3 LYS 32 HB3 LYS 32 -1.369 -7.159 -1.417 224 HG2 LYS 32 HG2 LYS 32 0.741 -7.642 -0.250 225 HG3 LYS 32 HG3 LYS 32 -0.074 -7.565 1.315 226 HD2 LYS 32 HD2 LYS 32 0.352 -9.870 0.668 227 HD3 LYS 32 HD3 LYS 32 -1.387 -9.572 0.757 228 HE2 LYS 32 HE2 LYS 32 -1.541 -9.420 -1.679 229 HE3 LYS 32 HE3 LYS 32 0.224 -9.504 -1.836 230 HZ1 LYS 32 HZ1 LYS 32 -1.430 -11.698 -0.710 231 HZ2 LYS 32 HZ2 LYS 32 -0.882 -11.635 -2.262 232 HZ3 LYS 32 HZ3 LYS 32 0.192 -11.743 -1.056 233 H CYS 33 H CYS 33 1.134 -5.105 1.020 234 HA CYS 33 HA CYS 33 2.659 -4.325 -1.423 235 HB2 CYS 33 HB2 CYS 33 3.084 -3.762 1.525 236 HB3 CYS 33 HB3 CYS 33 4.289 -3.472 0.276 237 H TYR 34 H TYR 34 3.533 -6.046 -2.330 238 HA TYR 34 HA TYR 34 3.617 -8.585 -1.270 239 HB2 TYR 34 HB2 TYR 34 5.291 -7.530 -3.566 240 HB3 TYR 34 HB3 TYR 34 4.954 -9.211 -3.231 241 HD1 TYR 34 HD2 TYR 34 2.552 -10.074 -3.407 242 HD2 TYR 34 HD1 TYR 34 3.792 -6.217 -4.916 243 HE1 TYR 34 HE2 TYR 34 0.660 -10.082 -5.028 244 HE2 TYR 34 HE1 TYR 34 1.918 -6.242 -6.519 245 HH TYR 34 HH TYR 34 -0.354 -9.023 -6.769 246 H TYR 35 H TYR 35 6.707 -6.895 -2.052 247 HA TYR 35 HA TYR 35 8.174 -8.847 -0.420 248 HB2 TYR 35 HB2 TYR 35 9.098 -6.705 -2.351 249 HB3 TYR 35 HB3 TYR 35 10.135 -7.917 -1.616 250 HD1 TYR 35 HD1 TYR 35 9.263 -10.454 -1.872 251 HD2 TYR 35 HD2 TYR 35 8.299 -7.179 -4.491 252 HE1 TYR 35 HE1 TYR 35 8.602 -12.071 -3.635 253 HE2 TYR 35 HE2 TYR 35 7.598 -8.779 -6.258 254 HH TYR 35 HH TYR 35 7.993 -12.339 -5.806 255 H CYS 36 H CYS 36 6.665 -6.816 1.028 256 HA CYS 36 HA CYS 36 8.836 -5.251 2.336 257 HB2 CYS 36 HB2 CYS 36 7.251 -4.066 0.935 258 HB3 CYS 36 HB3 CYS 36 5.903 -4.640 1.945 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 0.243 -5.241 9.086 2 H2 ALA 1 H2 ALA 1 -1.067 -4.264 9.311 3 H3 ALA 1 H3 ALA 1 0.431 -3.768 9.796 4 HA ALA 1 HA ALA 1 -0.242 -2.655 7.809 5 HB1 ALA 1 HB1 ALA 1 2.077 -4.583 7.361 6 HB2 ALA 1 HB2 ALA 1 1.784 -3.074 6.478 7 HB3 ALA 1 HB3 ALA 1 2.167 -3.021 8.204 8 H ALA 2 H ALA 2 -0.615 -2.758 5.530 9 HA ALA 2 HA ALA 2 -1.530 -3.361 3.614 10 HB1 ALA 2 HB1 ALA 2 0.225 -5.073 3.523 11 HB2 ALA 2 HB2 ALA 2 -0.875 -6.244 4.287 12 HB3 ALA 2 HB3 ALA 2 -1.254 -5.576 2.690 13 H ALA 3 H ALA 3 -2.803 -4.933 6.409 14 HA ALA 3 HA ALA 3 -5.504 -5.351 5.415 15 HB1 ALA 3 HB1 ALA 3 -4.221 -5.260 8.165 16 HB2 ALA 3 HB2 ALA 3 -5.868 -5.831 7.814 17 HB3 ALA 3 HB3 ALA 3 -4.467 -6.715 7.166 18 H ILE 4 H ILE 4 -5.362 -3.055 4.460 19 HA ILE 4 HA ILE 4 -6.411 -0.987 6.335 20 HB ILE 4 HB ILE 4 -5.047 0.659 5.041 21 HG12 ILE 4 HG12 ILE 4 -3.439 -1.704 3.999 22 HG13 ILE 4 HG13 ILE 4 -4.699 -0.945 3.024 23 HG21 ILE 4 HG21 ILE 4 -3.005 0.282 6.276 24 HG22 ILE 4 HG22 ILE 4 -4.347 -0.306 7.259 25 HG23 ILE 4 HG23 ILE 4 -3.325 -1.463 6.379 26 HD11 ILE 4 HD11 ILE 4 -3.544 1.158 3.013 27 HD12 ILE 4 HD12 ILE 4 -2.312 0.522 4.153 28 HD13 ILE 4 HD13 ILE 4 -2.434 -0.130 2.512 29 H SER 5 H SER 5 -7.481 0.779 5.237 30 HA SER 5 HA SER 5 -9.127 -0.095 2.967 31 HB2 SER 5 HB2 SER 5 -9.018 2.513 4.514 32 HB3 SER 5 HB3 SER 5 -10.157 2.153 3.200 33 HG SER 5 HG SER 5 -11.056 1.653 5.261 34 H CYS 6 H CYS 6 -8.531 0.055 0.944 35 HA CYS 6 HA CYS 6 -6.200 1.465 -0.001 36 HB2 CYS 6 HB2 CYS 6 -7.084 -0.484 -1.102 37 HB3 CYS 6 HB3 CYS 6 -8.623 0.341 -1.417 38 H VAL 7 H VAL 7 -9.651 2.524 0.171 39 HA VAL 7 HA VAL 7 -9.385 4.766 -1.541 40 HB VAL 7 HB VAL 7 -11.277 5.790 -0.383 41 HG11 VAL 7 HG11 VAL 7 -11.654 2.823 -0.920 42 HG12 VAL 7 HG12 VAL 7 -12.910 4.074 -0.942 43 HG13 VAL 7 HG13 VAL 7 -11.607 4.108 -2.142 44 HG21 VAL 7 HG21 VAL 7 -10.978 5.204 1.961 45 HG22 VAL 7 HG22 VAL 7 -12.507 4.562 1.382 46 HG23 VAL 7 HG23 VAL 7 -11.130 3.472 1.586 47 H GLY 8 H GLY 8 -8.687 4.516 1.853 48 HA2 GLY 8 HA2 GLY 8 -7.925 6.201 3.392 49 HA3 GLY 8 HA3 GLY 8 -6.573 5.582 2.468 50 H SER 9 H SER 9 -5.211 6.937 1.748 51 HA SER 9 HA SER 9 -6.122 9.517 0.559 52 HB2 SER 9 HB2 SER 9 -5.399 10.258 2.664 53 HB3 SER 9 HB3 SER 9 -4.013 9.171 2.684 54 HG SER 9 HG SER 9 -4.437 11.471 1.079 55 HA PRO 10 HA PRO 10 -2.807 7.338 -1.998 56 HB2 PRO 10 HB2 PRO 10 -0.855 5.836 -0.992 57 HB3 PRO 10 HB3 PRO 10 -0.778 7.618 -0.748 58 HG2 PRO 10 HG2 PRO 10 -1.844 5.496 1.141 59 HG3 PRO 10 HG3 PRO 10 -0.641 6.766 1.535 60 HD2 PRO 10 HD2 PRO 10 -3.332 7.018 2.040 61 HD3 PRO 10 HD3 PRO 10 -2.301 8.412 1.579 62 H GLU 11 H GLU 11 -2.395 4.951 -2.787 63 HA GLU 11 HA GLU 11 -4.681 3.293 -2.015 64 HB2 GLU 11 HB2 GLU 11 -2.460 2.785 -4.026 65 HB3 GLU 11 HB3 GLU 11 -3.824 1.716 -3.708 66 HG2 GLU 11 HG2 GLU 11 -5.403 3.561 -4.296 67 HG3 GLU 11 HG3 GLU 11 -4.021 4.581 -4.706 68 H CYS 12 H CYS 12 -1.227 2.296 -2.257 69 HA CYS 12 HA CYS 12 -1.730 0.506 0.088 70 HB2 CYS 12 HB2 CYS 12 -2.380 -0.746 -1.817 71 HB3 CYS 12 HB3 CYS 12 -0.949 -0.361 -2.699 72 HA PRO 13 HA PRO 13 2.831 -0.077 -0.065 73 HB2 PRO 13 HB2 PRO 13 4.542 1.283 -1.794 74 HB3 PRO 13 HB3 PRO 13 3.850 -0.338 -2.021 75 HG2 PRO 13 HG2 PRO 13 2.908 2.274 -3.195 76 HG3 PRO 13 HG3 PRO 13 2.981 0.659 -3.953 77 HD2 PRO 13 HD2 PRO 13 0.644 1.680 -2.966 78 HD3 PRO 13 HD3 PRO 13 1.048 -0.049 -2.928 79 HA PRO 14 HA PRO 14 4.314 4.176 1.343 80 HB2 PRO 14 HB2 PRO 14 2.941 6.472 1.040 81 HB3 PRO 14 HB3 PRO 14 3.912 5.789 -0.306 82 HG2 PRO 14 HG2 PRO 14 0.955 5.417 0.228 83 HG3 PRO 14 HG3 PRO 14 1.709 5.991 -1.298 84 HD2 PRO 14 HD2 PRO 14 0.983 3.392 -0.910 85 HD3 PRO 14 HD3 PRO 14 2.485 3.833 -1.810 86 H LYS 15 H LYS 15 1.123 2.984 1.677 87 HA LYS 15 HA LYS 15 0.768 4.052 4.432 88 HB2 LYS 15 HB2 LYS 15 -1.063 4.007 2.529 89 HB3 LYS 15 HB3 LYS 15 -1.262 2.329 2.997 90 HG2 LYS 15 HG2 LYS 15 -1.609 3.176 5.392 91 HG3 LYS 15 HG3 LYS 15 -1.511 4.809 4.754 92 HD2 LYS 15 HD2 LYS 15 -3.737 2.785 4.413 93 HD3 LYS 15 HD3 LYS 15 -3.756 4.354 5.156 94 HE2 LYS 15 HE2 LYS 15 -4.661 5.123 3.320 95 HE3 LYS 15 HE3 LYS 15 -3.043 5.092 2.631 96 HZ1 LYS 15 HZ1 LYS 15 -4.571 4.006 1.146 97 HZ2 LYS 15 HZ2 LYS 15 -3.627 2.837 1.710 98 HZ3 LYS 15 HZ3 LYS 15 -5.164 3.027 2.322 99 H CYS 16 H CYS 16 2.629 1.766 3.291 100 HA CYS 16 HA CYS 16 1.678 -0.485 4.989 101 HB2 CYS 16 HB2 CYS 16 1.915 -0.574 2.455 102 HB3 CYS 16 HB3 CYS 16 3.662 -0.638 2.716 103 H ARG 17 H ARG 17 4.416 1.715 4.843 104 HA ARG 17 HA ARG 17 5.392 0.678 7.325 105 HB2 ARG 17 HB2 ARG 17 7.642 0.116 6.642 106 HB3 ARG 17 HB3 ARG 17 6.468 -0.914 5.810 107 HG2 ARG 17 HG2 ARG 17 6.684 0.505 3.773 108 HG3 ARG 17 HG3 ARG 17 7.912 1.476 4.606 109 HD2 ARG 17 HD2 ARG 17 8.087 -1.495 3.973 110 HD3 ARG 17 HD3 ARG 17 8.906 -0.138 3.153 111 HE ARG 17 HE ARG 17 9.699 0.252 5.678 112 HH11 ARG 17 HH11 ARG 17 9.845 -2.941 4.102 113 HH12 ARG 17 HH12 ARG 17 11.298 -3.292 4.981 114 HH21 ARG 17 HH21 ARG 17 11.544 -0.311 6.588 115 HH22 ARG 17 HH22 ARG 17 12.329 -1.816 6.211 116 H ALA 18 H ALA 18 7.270 1.869 8.104 117 HA ALA 18 HA ALA 18 6.484 4.527 8.444 118 HB1 ALA 18 HB1 ALA 18 9.142 3.146 9.038 119 HB2 ALA 18 HB2 ALA 18 8.584 4.660 9.786 120 HB3 ALA 18 HB3 ALA 18 7.706 3.143 10.074 121 H GLN 19 H GLN 19 9.258 3.365 6.566 122 HA GLN 19 HA GLN 19 9.986 6.086 5.644 123 HB2 GLN 19 HB2 GLN 19 12.062 5.161 4.997 124 HB3 GLN 19 HB3 GLN 19 11.716 4.743 6.665 125 HG2 GLN 19 HG2 GLN 19 11.153 2.809 4.368 126 HG3 GLN 19 HG3 GLN 19 12.726 2.997 5.101 127 HE21 GLN 19 HE22 GLN 19 13.135 1.933 7.163 128 HE22 GLN 19 HE21 GLN 19 11.819 1.207 8.081 129 H GLY 20 H GLY 20 7.845 3.949 4.610 130 HA2 GLY 20 HA2 GLY 20 6.690 3.649 2.691 131 HA3 GLY 20 HA3 GLY 20 7.827 4.662 1.768 132 H CYS 21 H CYS 21 6.631 2.432 0.777 133 HA CYS 21 HA CYS 21 8.424 0.084 1.118 134 HB2 CYS 21 HB2 CYS 21 5.795 0.339 1.491 135 HB3 CYS 21 HB3 CYS 21 5.769 -0.127 -0.200 136 H LYS 22 H LYS 22 9.063 -1.108 -0.602 137 HA LYS 22 HA LYS 22 9.962 0.308 -2.939 138 HB2 LYS 22 HB2 LYS 22 9.949 -2.707 -2.480 139 HB3 LYS 22 HB3 LYS 22 10.815 -1.829 -3.748 140 HG2 LYS 22 HG2 LYS 22 11.929 -0.473 -1.878 141 HG3 LYS 22 HG3 LYS 22 11.288 -1.658 -0.751 142 HD2 LYS 22 HD2 LYS 22 13.099 -2.301 -3.104 143 HD3 LYS 22 HD3 LYS 22 13.677 -1.981 -1.471 144 HE2 LYS 22 HE2 LYS 22 11.735 -4.245 -2.073 145 HE3 LYS 22 HE3 LYS 22 13.484 -4.417 -2.222 146 HZ1 LYS 22 HZ1 LYS 22 12.113 -3.653 0.296 147 HZ2 LYS 22 HZ2 LYS 22 12.738 -5.127 -0.050 148 HZ3 LYS 22 HZ3 LYS 22 13.729 -3.826 0.096 149 H ASN 23 H ASN 23 7.471 -2.307 -2.769 150 HA ASN 23 HA ASN 23 5.828 -0.747 -4.527 151 HB2 ASN 23 HB2 ASN 23 7.527 -2.181 -6.022 152 HB3 ASN 23 HB3 ASN 23 6.373 -3.471 -5.719 153 HD21 ASN 23 HD22 ASN 23 6.886 -2.580 -8.285 154 HD22 ASN 23 HD21 ASN 23 5.450 -1.749 -8.880 155 H GLY 24 H GLY 24 3.741 -1.657 -4.912 156 HA2 GLY 24 HA2 GLY 24 2.660 -3.958 -3.585 157 HA3 GLY 24 HA3 GLY 24 2.281 -2.497 -2.638 158 H LYS 25 H LYS 25 0.270 -3.992 -3.727 159 HA LYS 25 HA LYS 25 -0.892 -2.048 -5.650 160 HB2 LYS 25 HB2 LYS 25 -0.716 -5.058 -5.994 161 HB3 LYS 25 HB3 LYS 25 -1.961 -4.131 -6.794 162 HG2 LYS 25 HG2 LYS 25 1.004 -3.739 -7.193 163 HG3 LYS 25 HG3 LYS 25 -0.101 -4.564 -8.286 164 HD2 LYS 25 HD2 LYS 25 -0.053 -1.632 -7.583 165 HD3 LYS 25 HD3 LYS 25 0.405 -2.357 -9.122 166 HE2 LYS 25 HE2 LYS 25 -2.003 -3.020 -9.463 167 HE3 LYS 25 HE3 LYS 25 -2.395 -2.224 -7.929 168 HZ1 LYS 25 HZ1 LYS 25 -2.793 -0.571 -9.482 169 HZ2 LYS 25 HZ2 LYS 25 -1.296 -0.193 -8.987 170 HZ3 LYS 25 HZ3 LYS 25 -1.492 -0.958 -10.436 171 H CYS 26 H CYS 26 -3.014 -1.737 -5.609 172 HA CYS 26 HA CYS 26 -4.482 -2.716 -3.233 173 HB2 CYS 26 HB2 CYS 26 -4.526 -0.418 -3.333 174 HB3 CYS 26 HB3 CYS 26 -4.738 -0.365 -5.083 175 H MET 27 H MET 27 -6.089 -4.043 -3.275 176 HA MET 27 HA MET 27 -7.320 -4.952 -5.850 177 HB2 MET 27 HB2 MET 27 -6.762 -6.521 -3.293 178 HB3 MET 27 HB3 MET 27 -7.740 -7.082 -4.646 179 HG2 MET 27 HG2 MET 27 -5.736 -8.082 -5.121 180 HG3 MET 27 HG3 MET 27 -5.627 -6.626 -6.102 181 HE1 MET 27 HE1 MET 27 -3.069 -6.820 -6.466 182 HE2 MET 27 HE2 MET 27 -1.900 -7.179 -5.177 183 HE3 MET 27 HE3 MET 27 -3.129 -8.384 -5.622 184 H ASN 28 H ASN 28 -9.140 -3.812 -5.952 185 HA ASN 28 HA ASN 28 -11.085 -2.886 -5.621 186 HB2 ASN 28 HB2 ASN 28 -11.610 -5.324 -5.364 187 HB3 ASN 28 HB3 ASN 28 -11.717 -5.081 -3.625 188 HD21 ASN 28 HD22 ASN 28 -13.922 -6.096 -4.649 189 HD22 ASN 28 HD21 ASN 28 -15.131 -4.894 -5.075 190 H ARG 29 H ARG 29 -10.573 -3.794 -2.189 191 HA ARG 29 HA ARG 29 -10.598 -0.882 -1.481 192 HB2 ARG 29 HB2 ARG 29 -11.906 -3.107 0.103 193 HB3 ARG 29 HB3 ARG 29 -12.057 -1.390 0.417 194 HG2 ARG 29 HG2 ARG 29 -13.101 -2.692 -2.118 195 HG3 ARG 29 HG3 ARG 29 -13.970 -2.662 -0.597 196 HD2 ARG 29 HD2 ARG 29 -14.855 -0.912 -1.910 197 HD3 ARG 29 HD3 ARG 29 -13.934 -0.169 -0.602 198 HE ARG 29 HE ARG 29 -12.191 -0.285 -2.808 199 HH11 ARG 29 HH21 ARG 29 -15.412 1.155 -2.405 200 HH12 ARG 29 HH22 ARG 29 -15.054 2.344 -3.649 201 HH21 ARG 29 HH11 ARG 29 -11.817 1.563 -4.095 202 HH22 ARG 29 HH12 ARG 29 -13.226 2.523 -4.538 203 H LYS 30 H LYS 30 -8.687 -3.551 -1.424 204 HA LYS 30 HA LYS 30 -7.442 -2.927 1.240 205 HB2 LYS 30 HB2 LYS 30 -7.990 -5.657 0.023 206 HB3 LYS 30 HB3 LYS 30 -7.181 -5.351 1.557 207 HG2 LYS 30 HG2 LYS 30 -10.113 -4.650 0.982 208 HG3 LYS 30 HG3 LYS 30 -9.528 -6.103 1.780 209 HD2 LYS 30 HD2 LYS 30 -8.369 -4.472 3.481 210 HD3 LYS 30 HD3 LYS 30 -9.481 -3.258 2.812 211 HE2 LYS 30 HE2 LYS 30 -11.371 -4.928 3.262 212 HE3 LYS 30 HE3 LYS 30 -10.178 -5.938 4.093 213 HZ1 LYS 30 HZ1 LYS 30 -9.782 -3.945 5.568 214 HZ2 LYS 30 HZ2 LYS 30 -11.093 -3.234 4.909 215 HZ3 LYS 30 HZ3 LYS 30 -11.221 -4.653 5.755 216 H CYS 31 H CYS 31 -5.197 -4.053 1.428 217 HA CYS 31 HA CYS 31 -3.675 -3.445 -1.091 218 HB2 CYS 31 HB2 CYS 31 -3.528 -1.611 0.359 219 HB3 CYS 31 HB3 CYS 31 -3.399 -2.623 1.777 220 H LYS 32 H LYS 32 -1.737 -4.468 -1.504 221 HA LYS 32 HA LYS 32 -0.677 -6.500 0.369 222 HB2 LYS 32 HB2 LYS 32 -2.069 -7.772 -1.192 223 HB3 LYS 32 HB3 LYS 32 -1.212 -7.081 -2.577 224 HG2 LYS 32 HG2 LYS 32 0.862 -8.152 -1.945 225 HG3 LYS 32 HG3 LYS 32 0.220 -8.633 -0.373 226 HD2 LYS 32 HD2 LYS 32 -0.791 -9.712 -3.042 227 HD3 LYS 32 HD3 LYS 32 0.403 -10.505 -1.994 228 HE2 LYS 32 HE2 LYS 32 -1.293 -10.435 -0.122 229 HE3 LYS 32 HE3 LYS 32 -2.488 -9.849 -1.284 230 HZ1 LYS 32 HZ1 LYS 32 -2.056 -11.897 -2.572 231 HZ2 LYS 32 HZ2 LYS 32 -1.104 -12.461 -1.312 232 HZ3 LYS 32 HZ3 LYS 32 -2.721 -12.171 -1.115 233 H CYS 33 H CYS 33 1.409 -6.217 0.649 234 HA CYS 33 HA CYS 33 2.906 -4.311 -1.090 235 HB2 CYS 33 HB2 CYS 33 3.451 -5.178 1.757 236 HB3 CYS 33 HB3 CYS 33 4.227 -3.855 0.879 237 H TYR 34 H TYR 34 4.127 -5.289 -2.569 238 HA TYR 34 HA TYR 34 4.478 -8.111 -2.502 239 HB2 TYR 34 HB2 TYR 34 5.615 -6.046 -4.407 240 HB3 TYR 34 HB3 TYR 34 5.631 -7.785 -4.666 241 HD1 TYR 34 HD1 TYR 34 2.754 -8.433 -3.716 242 HD2 TYR 34 HD2 TYR 34 4.406 -5.435 -6.356 243 HE1 TYR 34 HE1 TYR 34 0.680 -8.476 -5.079 244 HE2 TYR 34 HE2 TYR 34 2.322 -5.533 -7.731 245 HH TYR 34 HH TYR 34 0.483 -6.798 -8.203 246 H TYR 35 H TYR 35 7.064 -5.623 -2.486 247 HA TYR 35 HA TYR 35 9.027 -7.803 -1.838 248 HB2 TYR 35 HB2 TYR 35 9.683 -5.206 -3.205 249 HB3 TYR 35 HB3 TYR 35 10.571 -6.717 -3.242 250 HD1 TYR 35 HD2 TYR 35 8.676 -8.737 -4.194 251 HD2 TYR 35 HD1 TYR 35 9.106 -4.593 -5.347 252 HE1 TYR 35 HE2 TYR 35 7.704 -9.244 -6.428 253 HE2 TYR 35 HE1 TYR 35 8.136 -5.110 -7.564 254 HH TYR 35 HH TYR 35 7.418 -6.709 -8.976 255 H CYS 36 H CYS 36 7.609 -5.610 0.057 256 HA CYS 36 HA CYS 36 10.054 -4.796 1.499 257 HB2 CYS 36 HB2 CYS 36 9.178 -2.468 1.282 258 HB3 CYS 36 HB3 CYS 36 9.689 -3.191 -0.235 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 3.021 -4.627 7.132 2 H2 ALA 1 H2 ALA 1 3.050 -3.642 8.460 3 H3 ALA 1 H3 ALA 1 3.092 -2.995 6.938 4 HA ALA 1 HA ALA 1 0.886 -4.438 8.199 5 HB1 ALA 1 HB1 ALA 1 1.109 -2.123 8.980 6 HB2 ALA 1 HB2 ALA 1 1.082 -1.525 7.307 7 HB3 ALA 1 HB3 ALA 1 -0.355 -2.308 8.003 8 H ALA 2 H ALA 2 -1.014 -4.708 7.025 9 HA ALA 2 HA ALA 2 -1.140 -4.262 4.137 10 HB1 ALA 2 HB1 ALA 2 -1.521 -6.653 3.648 11 HB2 ALA 2 HB2 ALA 2 0.087 -6.426 4.346 12 HB3 ALA 2 HB3 ALA 2 -1.231 -7.068 5.350 13 H ALA 3 H ALA 3 -3.408 -5.340 3.440 14 HA ALA 3 HA ALA 3 -5.678 -5.114 3.583 15 HB1 ALA 3 HB1 ALA 3 -5.145 -7.159 4.812 16 HB2 ALA 3 HB2 ALA 3 -5.183 -6.224 6.332 17 HB3 ALA 3 HB3 ALA 3 -6.660 -6.393 5.360 18 H ILE 4 H ILE 4 -4.413 -2.751 4.182 19 HA ILE 4 HA ILE 4 -5.789 -1.167 6.214 20 HB ILE 4 HB ILE 4 -4.418 0.628 5.006 21 HG12 ILE 4 HG12 ILE 4 -3.016 -1.737 3.663 22 HG13 ILE 4 HG13 ILE 4 -4.310 -0.860 2.838 23 HG21 ILE 4 HG21 ILE 4 -2.831 -1.766 6.059 24 HG22 ILE 4 HG22 ILE 4 -2.290 -0.073 6.020 25 HG23 ILE 4 HG23 ILE 4 -3.630 -0.547 7.065 26 HD11 ILE 4 HD11 ILE 4 -3.087 1.151 2.834 27 HD12 ILE 4 HD12 ILE 4 -1.801 0.419 3.866 28 HD13 ILE 4 HD13 ILE 4 -2.071 -0.163 2.214 29 H SER 5 H SER 5 -6.944 0.765 5.526 30 HA SER 5 HA SER 5 -8.848 0.427 3.392 31 HB2 SER 5 HB2 SER 5 -7.997 2.948 4.869 32 HB3 SER 5 HB3 SER 5 -9.384 2.810 3.773 33 HG SER 5 HG SER 5 -8.935 1.502 6.248 34 H CYS 6 H CYS 6 -8.268 0.296 1.339 35 HA CYS 6 HA CYS 6 -6.019 1.558 0.098 36 HB2 CYS 6 HB2 CYS 6 -7.120 -0.347 -0.841 37 HB3 CYS 6 HB3 CYS 6 -8.646 0.532 -1.003 38 H VAL 7 H VAL 7 -9.341 2.821 0.586 39 HA VAL 7 HA VAL 7 -9.140 5.067 -1.179 40 HB VAL 7 HB VAL 7 -10.793 4.624 1.339 41 HG11 VAL 7 HG11 VAL 7 -10.732 7.064 0.946 42 HG12 VAL 7 HG12 VAL 7 -11.095 6.807 -0.781 43 HG13 VAL 7 HG13 VAL 7 -12.289 6.412 0.465 44 HG21 VAL 7 HG21 VAL 7 -12.597 4.232 -0.352 45 HG22 VAL 7 HG22 VAL 7 -11.429 4.463 -1.656 46 HG23 VAL 7 HG23 VAL 7 -11.276 3.079 -0.560 47 H GLY 8 H GLY 8 -8.132 4.692 2.149 48 HA2 GLY 8 HA2 GLY 8 -7.635 6.635 3.626 49 HA3 GLY 8 HA3 GLY 8 -6.193 5.864 2.935 50 H SER 9 H SER 9 -4.926 6.816 1.486 51 HA SER 9 HA SER 9 -5.763 9.309 0.186 52 HB2 SER 9 HB2 SER 9 -4.938 10.322 2.142 53 HB3 SER 9 HB3 SER 9 -3.496 9.327 2.193 54 HG SER 9 HG SER 9 -3.330 11.541 1.321 55 HA PRO 10 HA PRO 10 -2.233 7.207 -2.214 56 HB2 PRO 10 HB2 PRO 10 -0.483 5.546 -1.073 57 HB3 PRO 10 HB3 PRO 10 -0.242 7.322 -0.928 58 HG2 PRO 10 HG2 PRO 10 -1.563 5.429 1.023 59 HG3 PRO 10 HG3 PRO 10 -0.261 6.597 1.398 60 HD2 PRO 10 HD2 PRO 10 -2.928 7.130 1.805 61 HD3 PRO 10 HD3 PRO 10 -1.769 8.411 1.272 62 H GLU 11 H GLU 11 -2.232 4.896 -3.100 63 HA GLU 11 HA GLU 11 -4.568 3.384 -2.217 64 HB2 GLU 11 HB2 GLU 11 -2.418 2.828 -4.299 65 HB3 GLU 11 HB3 GLU 11 -3.764 1.735 -3.945 66 HG2 GLU 11 HG2 GLU 11 -5.439 3.429 -4.508 67 HG3 GLU 11 HG3 GLU 11 -4.134 4.642 -4.759 68 H CYS 12 H CYS 12 -1.110 2.309 -2.430 69 HA CYS 12 HA CYS 12 -1.653 0.564 -0.068 70 HB2 CYS 12 HB2 CYS 12 -2.487 -0.635 -1.921 71 HB3 CYS 12 HB3 CYS 12 -1.050 -0.385 -2.869 72 HA PRO 13 HA PRO 13 2.916 -0.274 -0.572 73 HB2 PRO 13 HB2 PRO 13 4.502 1.387 -2.201 74 HB3 PRO 13 HB3 PRO 13 3.956 -0.270 -2.512 75 HG2 PRO 13 HG2 PRO 13 2.792 2.296 -3.545 76 HG3 PRO 13 HG3 PRO 13 2.893 0.703 -4.336 77 HD2 PRO 13 HD2 PRO 13 0.576 1.618 -3.213 78 HD3 PRO 13 HD3 PRO 13 1.021 -0.094 -3.217 79 HA PRO 14 HA PRO 14 4.617 3.730 1.216 80 HB2 PRO 14 HB2 PRO 14 3.472 6.167 0.981 81 HB3 PRO 14 HB3 PRO 14 4.408 5.448 -0.374 82 HG2 PRO 14 HG2 PRO 14 1.421 5.332 0.088 83 HG3 PRO 14 HG3 PRO 14 2.261 5.917 -1.387 84 HD2 PRO 14 HD2 PRO 14 1.334 3.353 -1.198 85 HD3 PRO 14 HD3 PRO 14 2.917 3.726 -1.973 86 H LYS 15 H LYS 15 1.361 2.825 1.469 87 HA LYS 15 HA LYS 15 1.081 3.804 4.267 88 HB2 LYS 15 HB2 LYS 15 -0.727 4.033 2.402 89 HB3 LYS 15 HB3 LYS 15 -1.064 2.347 2.742 90 HG2 LYS 15 HG2 LYS 15 -1.294 3.121 5.231 91 HG3 LYS 15 HG3 LYS 15 -1.205 4.759 4.590 92 HD2 LYS 15 HD2 LYS 15 -3.445 2.746 4.246 93 HD3 LYS 15 HD3 LYS 15 -3.457 4.304 5.017 94 HE2 LYS 15 HE2 LYS 15 -4.384 5.058 3.157 95 HE3 LYS 15 HE3 LYS 15 -2.745 5.128 2.549 96 HZ1 LYS 15 HZ1 LYS 15 -4.750 2.982 2.065 97 HZ2 LYS 15 HZ2 LYS 15 -4.142 4.010 0.950 98 HZ3 LYS 15 HZ3 LYS 15 -3.178 2.863 1.539 99 H CYS 16 H CYS 16 2.173 1.050 2.532 100 HA CYS 16 HA CYS 16 1.256 -0.929 4.433 101 HB2 CYS 16 HB2 CYS 16 1.827 -2.440 2.932 102 HB3 CYS 16 HB3 CYS 16 1.832 -1.064 1.846 103 H ARG 17 H ARG 17 4.161 1.044 4.291 104 HA ARG 17 HA ARG 17 4.633 0.276 7.053 105 HB2 ARG 17 HB2 ARG 17 7.019 -0.000 6.857 106 HB3 ARG 17 HB3 ARG 17 6.132 -1.247 5.978 107 HG2 ARG 17 HG2 ARG 17 6.739 -0.322 3.847 108 HG3 ARG 17 HG3 ARG 17 7.378 1.154 4.605 109 HD2 ARG 17 HD2 ARG 17 9.194 -0.365 4.004 110 HD3 ARG 17 HD3 ARG 17 9.144 -0.093 5.721 111 HE ARG 17 HE ARG 17 8.302 -2.605 4.274 112 HH11 ARG 17 HH11 ARG 17 9.275 -1.181 7.369 113 HH12 ARG 17 HH12 ARG 17 9.410 -2.757 8.103 114 HH21 ARG 17 HH21 ARG 17 8.705 -4.467 5.171 115 HH22 ARG 17 HH22 ARG 17 9.217 -4.590 6.853 116 H ALA 18 H ALA 18 6.148 1.770 8.101 117 HA ALA 18 HA ALA 18 4.966 4.070 8.528 118 HB1 ALA 18 HB1 ALA 18 7.986 3.692 8.648 119 HB2 ALA 18 HB2 ALA 18 7.039 4.879 9.570 120 HB3 ALA 18 HB3 ALA 18 6.814 3.149 9.859 121 H GLN 19 H GLN 19 7.853 4.176 6.407 122 HA GLN 19 HA GLN 19 6.755 6.682 5.171 123 HB2 GLN 19 HB2 GLN 19 8.918 7.550 4.860 124 HB3 GLN 19 HB3 GLN 19 8.748 7.119 6.556 125 HG2 GLN 19 HG2 GLN 19 10.166 5.185 6.300 126 HG3 GLN 19 HG3 GLN 19 10.133 5.283 4.542 127 HE21 GLN 19 HE22 GLN 19 11.815 6.324 7.359 128 HE22 GLN 19 HE21 GLN 19 12.892 7.466 6.543 129 H GLY 20 H GLY 20 6.464 3.758 4.363 130 HA2 GLY 20 HA2 GLY 20 6.405 2.523 2.424 131 HA3 GLY 20 HA3 GLY 20 6.760 3.991 1.508 132 H CYS 21 H CYS 21 7.708 1.557 0.737 133 HA CYS 21 HA CYS 21 10.669 1.982 0.706 134 HB2 CYS 21 HB2 CYS 21 10.221 0.715 2.667 135 HB3 CYS 21 HB3 CYS 21 9.271 -0.463 1.755 136 H LYS 22 H LYS 22 8.446 -0.690 -0.252 137 HA LYS 22 HA LYS 22 9.125 -0.243 -3.128 138 HB2 LYS 22 HB2 LYS 22 9.363 -2.830 -1.552 139 HB3 LYS 22 HB3 LYS 22 9.469 -2.706 -3.310 140 HG2 LYS 22 HG2 LYS 22 11.453 -1.250 -3.143 141 HG3 LYS 22 HG3 LYS 22 11.377 -1.362 -1.373 142 HD2 LYS 22 HD2 LYS 22 11.522 -3.864 -1.590 143 HD3 LYS 22 HD3 LYS 22 11.800 -3.651 -3.324 144 HE2 LYS 22 HE2 LYS 22 13.915 -4.000 -2.240 145 HE3 LYS 22 HE3 LYS 22 13.857 -2.311 -2.772 146 HZ1 LYS 22 HZ1 LYS 22 13.063 -3.149 -0.048 147 HZ2 LYS 22 HZ2 LYS 22 14.627 -2.798 -0.409 148 HZ3 LYS 22 HZ3 LYS 22 13.512 -1.615 -0.581 149 H ASN 23 H ASN 23 7.872 -2.133 -4.363 150 HA ASN 23 HA ASN 23 5.381 -1.003 -4.632 151 HB2 ASN 23 HB2 ASN 23 6.882 -2.531 -6.227 152 HB3 ASN 23 HB3 ASN 23 5.785 -3.790 -5.700 153 HD21 ASN 23 HD22 ASN 23 5.798 -3.365 -8.334 154 HD22 ASN 23 HD21 ASN 23 4.382 -2.458 -8.821 155 H GLY 24 H GLY 24 3.295 -1.843 -4.796 156 HA2 GLY 24 HA2 GLY 24 2.302 -4.116 -3.376 157 HA3 GLY 24 HA3 GLY 24 1.957 -2.623 -2.487 158 H LYS 25 H LYS 25 -0.091 -4.166 -3.497 159 HA LYS 25 HA LYS 25 -1.281 -2.393 -5.593 160 HB2 LYS 25 HB2 LYS 25 -1.103 -5.436 -5.608 161 HB3 LYS 25 HB3 LYS 25 -2.419 -4.602 -6.432 162 HG2 LYS 25 HG2 LYS 25 0.545 -4.198 -7.034 163 HG3 LYS 25 HG3 LYS 25 -0.609 -5.176 -7.962 164 HD2 LYS 25 HD2 LYS 25 -1.992 -2.908 -8.056 165 HD3 LYS 25 HD3 LYS 25 -0.400 -2.182 -7.749 166 HE2 LYS 25 HE2 LYS 25 -1.081 -4.156 -9.989 167 HE3 LYS 25 HE3 LYS 25 -1.042 -2.399 -10.197 168 HZ1 LYS 25 HZ1 LYS 25 1.310 -4.011 -9.356 169 HZ2 LYS 25 HZ2 LYS 25 1.015 -3.525 -10.884 170 HZ3 LYS 25 HZ3 LYS 25 1.306 -2.414 -9.699 171 H CYS 26 H CYS 26 -3.269 -1.834 -5.341 172 HA CYS 26 HA CYS 26 -4.961 -3.069 -3.232 173 HB2 CYS 26 HB2 CYS 26 -4.807 -0.766 -2.810 174 HB3 CYS 26 HB3 CYS 26 -4.854 -0.347 -4.523 175 H MET 27 H MET 27 -6.997 -3.819 -3.702 176 HA MET 27 HA MET 27 -7.567 -4.308 -6.601 177 HB2 MET 27 HB2 MET 27 -8.843 -5.892 -4.383 178 HB3 MET 27 HB3 MET 27 -8.673 -6.274 -6.088 179 HG2 MET 27 HG2 MET 27 -6.510 -6.251 -3.961 180 HG3 MET 27 HG3 MET 27 -7.158 -7.648 -4.807 181 HE1 MET 27 HE1 MET 27 -3.279 -7.111 -5.749 182 HE2 MET 27 HE2 MET 27 -4.068 -6.555 -4.256 183 HE3 MET 27 HE3 MET 27 -4.416 -8.179 -4.901 184 H ASN 28 H ASN 28 -9.359 -3.612 -3.554 185 HA ASN 28 HA ASN 28 -10.825 -1.452 -4.940 186 HB2 ASN 28 HB2 ASN 28 -12.258 -3.369 -5.342 187 HB3 ASN 28 HB3 ASN 28 -12.205 -3.844 -3.660 188 HD21 ASN 28 HD22 ASN 28 -14.649 -3.745 -4.528 189 HD22 ASN 28 HD21 ASN 28 -15.458 -2.280 -3.998 190 H ARG 29 H ARG 29 -11.117 -3.128 -1.734 191 HA ARG 29 HA ARG 29 -10.751 -0.479 -0.383 192 HB2 ARG 29 HB2 ARG 29 -11.796 -3.111 0.719 193 HB3 ARG 29 HB3 ARG 29 -11.793 -1.568 1.559 194 HG2 ARG 29 HG2 ARG 29 -13.360 -2.156 -0.959 195 HG3 ARG 29 HG3 ARG 29 -13.961 -2.305 0.698 196 HD2 ARG 29 HD2 ARG 29 -13.620 0.092 1.082 197 HD3 ARG 29 HD3 ARG 29 -12.965 0.283 -0.556 198 HE ARG 29 HE ARG 29 -15.615 -0.905 -0.601 199 HH11 ARG 29 HH21 ARG 29 -14.177 2.248 -0.046 200 HH12 ARG 29 HH22 ARG 29 -15.573 3.066 -0.721 201 HH21 ARG 29 HH12 ARG 29 -17.235 0.163 -1.475 202 HH22 ARG 29 HH11 ARG 29 -17.199 1.899 -1.712 203 H LYS 30 H LYS 30 -9.010 -3.397 -0.895 204 HA LYS 30 HA LYS 30 -7.354 -2.993 1.565 205 HB2 LYS 30 HB2 LYS 30 -8.346 -5.565 0.283 206 HB3 LYS 30 HB3 LYS 30 -7.231 -5.509 1.640 207 HG2 LYS 30 HG2 LYS 30 -10.091 -4.391 1.701 208 HG3 LYS 30 HG3 LYS 30 -9.610 -5.988 2.263 209 HD2 LYS 30 HD2 LYS 30 -8.140 -5.043 3.955 210 HD3 LYS 30 HD3 LYS 30 -8.492 -3.388 3.406 211 HE2 LYS 30 HE2 LYS 30 -10.836 -3.634 4.017 212 HE3 LYS 30 HE3 LYS 30 -10.581 -5.335 4.450 213 HZ1 LYS 30 HZ1 LYS 30 -9.149 -3.123 5.832 214 HZ2 LYS 30 HZ2 LYS 30 -10.566 -3.779 6.372 215 HZ3 LYS 30 HZ3 LYS 30 -9.206 -4.690 6.266 216 H CYS 31 H CYS 31 -5.280 -4.326 1.425 217 HA CYS 31 HA CYS 31 -3.881 -3.782 -1.145 218 HB2 CYS 31 HB2 CYS 31 -3.668 -1.732 -0.032 219 HB3 CYS 31 HB3 CYS 31 -3.603 -2.502 1.536 220 H LYS 32 H LYS 32 -2.154 -4.984 -1.583 221 HA LYS 32 HA LYS 32 -0.944 -6.935 0.336 222 HB2 LYS 32 HB2 LYS 32 -2.126 -8.173 -1.327 223 HB3 LYS 32 HB3 LYS 32 -1.776 -6.990 -2.583 224 HG2 LYS 32 HG2 LYS 32 -0.596 -8.911 -3.133 225 HG3 LYS 32 HG3 LYS 32 0.580 -7.703 -2.665 226 HD2 LYS 32 HD2 LYS 32 0.762 -8.850 -0.405 227 HD3 LYS 32 HD3 LYS 32 -0.347 -10.108 -1.020 228 HE2 LYS 32 HE2 LYS 32 1.202 -10.369 -2.988 229 HE3 LYS 32 HE3 LYS 32 2.309 -9.225 -2.217 230 HZ1 LYS 32 HZ1 LYS 32 2.938 -11.546 -1.791 231 HZ2 LYS 32 HZ2 LYS 32 2.580 -10.792 -0.386 232 HZ3 LYS 32 HZ3 LYS 32 1.494 -11.844 -1.044 233 H CYS 33 H CYS 33 1.225 -6.602 0.660 234 HA CYS 33 HA CYS 33 2.685 -4.744 -1.175 235 HB2 CYS 33 HB2 CYS 33 2.217 -4.388 1.518 236 HB3 CYS 33 HB3 CYS 33 3.826 -5.078 1.504 237 H TYR 34 H TYR 34 4.826 -5.279 -1.823 238 HA TYR 34 HA TYR 34 5.083 -8.245 -1.976 239 HB2 TYR 34 HB2 TYR 34 5.759 -5.979 -3.865 240 HB3 TYR 34 HB3 TYR 34 6.316 -7.624 -4.118 241 HD1 TYR 34 HD2 TYR 34 4.607 -9.521 -4.045 242 HD2 TYR 34 HD1 TYR 34 3.623 -5.395 -4.821 243 HE1 TYR 34 HE2 TYR 34 2.502 -10.239 -5.167 244 HE2 TYR 34 HE1 TYR 34 1.500 -6.116 -5.923 245 HH TYR 34 HH TYR 34 0.127 -7.958 -6.534 246 H TYR 35 H TYR 35 7.427 -5.508 -1.898 247 HA TYR 35 HA TYR 35 9.628 -7.550 -1.641 248 HB2 TYR 35 HB2 TYR 35 9.708 -4.830 -2.860 249 HB3 TYR 35 HB3 TYR 35 10.930 -6.087 -2.983 250 HD1 TYR 35 HD1 TYR 35 9.973 -8.400 -4.034 251 HD2 TYR 35 HD2 TYR 35 8.354 -4.456 -4.700 252 HE1 TYR 35 HE1 TYR 35 8.935 -9.172 -6.151 253 HE2 TYR 35 HE2 TYR 35 7.313 -5.246 -6.822 254 HH TYR 35 HH TYR 35 7.615 -8.635 -7.923 255 H CYS 36 H CYS 36 8.321 -5.120 0.331 256 HA CYS 36 HA CYS 36 10.868 -5.164 1.905 257 HB2 CYS 36 HB2 CYS 36 10.626 -3.179 0.413 258 HB3 CYS 36 HB3 CYS 36 9.194 -2.713 1.336 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 3.051 -6.219 6.720 2 H2 ALA 1 H2 ALA 1 3.224 -5.486 5.249 3 H3 ALA 1 H3 ALA 1 2.237 -6.792 5.421 4 HA ALA 1 HA ALA 1 0.834 -5.564 6.956 5 HB1 ALA 1 HB1 ALA 1 2.481 -3.869 7.634 6 HB2 ALA 1 HB2 ALA 1 2.544 -3.248 5.974 7 HB3 ALA 1 HB3 ALA 1 1.048 -3.097 6.931 8 H ALA 2 H ALA 2 -1.110 -5.181 6.087 9 HA ALA 2 HA ALA 2 -1.455 -4.006 3.430 10 HB1 ALA 2 HB1 ALA 2 -2.740 -5.962 2.574 11 HB2 ALA 2 HB2 ALA 2 -1.066 -6.418 2.924 12 HB3 ALA 2 HB3 ALA 2 -2.358 -6.865 4.055 13 H ALA 3 H ALA 3 -2.668 -4.858 6.545 14 HA ALA 3 HA ALA 3 -5.453 -4.469 6.086 15 HB1 ALA 3 HB1 ALA 3 -4.521 -5.937 7.777 16 HB2 ALA 3 HB2 ALA 3 -3.791 -4.554 8.622 17 HB3 ALA 3 HB3 ALA 3 -5.562 -4.709 8.524 18 H ILE 4 H ILE 4 -4.927 -2.414 4.884 19 HA ILE 4 HA ILE 4 -6.014 -0.209 6.528 20 HB ILE 4 HB ILE 4 -4.722 1.449 5.121 21 HG12 ILE 4 HG12 ILE 4 -3.109 -1.011 4.344 22 HG13 ILE 4 HG13 ILE 4 -3.945 0.152 3.308 23 HG21 ILE 4 HG21 ILE 4 -2.873 1.535 6.615 24 HG22 ILE 4 HG22 ILE 4 -4.236 0.877 7.526 25 HG23 ILE 4 HG23 ILE 4 -2.957 -0.215 6.948 26 HD11 ILE 4 HD11 ILE 4 -1.621 0.633 3.192 27 HD12 ILE 4 HD12 ILE 4 -2.331 1.918 4.213 28 HD13 ILE 4 HD13 ILE 4 -1.431 0.571 4.942 29 H SER 5 H SER 5 -7.397 1.186 5.404 30 HA SER 5 HA SER 5 -8.872 0.201 3.147 31 HB2 SER 5 HB2 SER 5 -8.539 3.048 4.187 32 HB3 SER 5 HB3 SER 5 -9.775 2.502 3.053 33 HG SER 5 HG SER 5 -10.447 2.682 5.276 34 H CYS 6 H CYS 6 -8.075 0.000 1.124 35 HA CYS 6 HA CYS 6 -5.497 0.976 0.494 36 HB2 CYS 6 HB2 CYS 6 -6.674 -1.065 -0.352 37 HB3 CYS 6 HB3 CYS 6 -7.537 -0.010 -1.489 38 H VAL 7 H VAL 7 -8.568 2.631 0.022 39 HA VAL 7 HA VAL 7 -7.568 4.520 -1.942 40 HB VAL 7 HB VAL 7 -9.345 5.992 -1.261 41 HG11 VAL 7 HG11 VAL 7 -9.724 4.025 -2.769 42 HG12 VAL 7 HG12 VAL 7 -10.368 3.130 -1.378 43 HG13 VAL 7 HG13 VAL 7 -11.169 4.611 -1.936 44 HG21 VAL 7 HG21 VAL 7 -9.544 5.778 1.148 45 HG22 VAL 7 HG22 VAL 7 -11.060 5.293 0.409 46 HG23 VAL 7 HG23 VAL 7 -9.947 4.053 1.014 47 H GLY 8 H GLY 8 -7.460 4.442 1.571 48 HA2 GLY 8 HA2 GLY 8 -7.018 6.192 3.088 49 HA3 GLY 8 HA3 GLY 8 -5.423 5.751 2.525 50 H SER 9 H SER 9 -4.123 7.315 1.990 51 HA SER 9 HA SER 9 -5.344 9.767 0.745 52 HB2 SER 9 HB2 SER 9 -4.197 9.786 3.183 53 HB3 SER 9 HB3 SER 9 -2.802 10.213 2.189 54 HG SER 9 HG SER 9 -3.692 12.121 2.381 55 HA PRO 10 HA PRO 10 -1.448 9.004 -1.935 56 HB2 PRO 10 HB2 PRO 10 0.452 7.223 -1.265 57 HB3 PRO 10 HB3 PRO 10 0.402 8.834 -0.498 58 HG2 PRO 10 HG2 PRO 10 -0.810 6.252 0.584 59 HG3 PRO 10 HG3 PRO 10 0.359 7.341 1.413 60 HD2 PRO 10 HD2 PRO 10 -2.325 7.517 1.769 61 HD3 PRO 10 HD3 PRO 10 -1.281 8.980 1.696 62 H GLU 11 H GLU 11 -0.506 6.858 -3.263 63 HA GLU 11 HA GLU 11 -2.883 5.363 -3.932 64 HB2 GLU 11 HB2 GLU 11 -0.104 5.453 -5.059 65 HB3 GLU 11 HB3 GLU 11 -1.222 4.170 -5.526 66 HG2 GLU 11 HG2 GLU 11 -1.390 5.980 -7.114 67 HG3 GLU 11 HG3 GLU 11 -2.897 5.817 -6.218 68 H CYS 12 H CYS 12 0.290 3.734 -3.034 69 HA CYS 12 HA CYS 12 -1.159 2.287 -0.958 70 HB2 CYS 12 HB2 CYS 12 -2.008 0.989 -2.747 71 HB3 CYS 12 HB3 CYS 12 -0.427 0.742 -3.439 72 HA PRO 13 HA PRO 13 3.277 0.485 -0.700 73 HB2 PRO 13 HB2 PRO 13 5.281 1.970 -2.054 74 HB3 PRO 13 HB3 PRO 13 4.645 0.347 -2.434 75 HG2 PRO 13 HG2 PRO 13 3.895 3.012 -3.593 76 HG3 PRO 13 HG3 PRO 13 3.979 1.438 -4.426 77 HD2 PRO 13 HD2 PRO 13 1.629 2.546 -3.708 78 HD3 PRO 13 HD3 PRO 13 1.881 0.786 -3.610 79 HA PRO 14 HA PRO 14 5.039 4.453 1.315 80 HB2 PRO 14 HB2 PRO 14 3.715 6.834 1.167 81 HB3 PRO 14 HB3 PRO 14 4.933 6.319 -0.035 82 HG2 PRO 14 HG2 PRO 14 1.929 5.991 -0.177 83 HG3 PRO 14 HG3 PRO 14 3.010 6.721 -1.418 84 HD2 PRO 14 HD2 PRO 14 2.204 4.176 -1.611 85 HD3 PRO 14 HD3 PRO 14 3.915 4.592 -1.964 86 H LYS 15 H LYS 15 1.658 3.555 1.277 87 HA LYS 15 HA LYS 15 1.345 4.392 4.133 88 HB2 LYS 15 HB2 LYS 15 -0.979 4.055 3.962 89 HB3 LYS 15 HB3 LYS 15 -0.437 5.211 2.765 90 HG2 LYS 15 HG2 LYS 15 -0.795 3.701 0.950 91 HG3 LYS 15 HG3 LYS 15 -0.839 2.303 2.021 92 HD2 LYS 15 HD2 LYS 15 -3.110 2.485 1.716 93 HD3 LYS 15 HD3 LYS 15 -2.960 3.608 3.048 94 HE2 LYS 15 HE2 LYS 15 -4.106 4.942 1.710 95 HE3 LYS 15 HE3 LYS 15 -2.503 5.405 1.182 96 HZ1 LYS 15 HZ1 LYS 15 -3.866 5.016 -0.717 97 HZ2 LYS 15 HZ2 LYS 15 -2.856 3.765 -0.699 98 HZ3 LYS 15 HZ3 LYS 15 -4.400 3.564 -0.199 99 H CYS 16 H CYS 16 2.155 1.543 2.393 100 HA CYS 16 HA CYS 16 1.012 -0.445 4.011 101 HB2 CYS 16 HB2 CYS 16 3.709 -0.342 2.621 102 HB3 CYS 16 HB3 CYS 16 3.101 -1.784 3.431 103 H ARG 17 H ARG 17 3.857 1.567 4.799 104 HA ARG 17 HA ARG 17 3.754 0.678 7.638 105 HB2 ARG 17 HB2 ARG 17 6.415 1.150 6.258 106 HB3 ARG 17 HB3 ARG 17 6.093 0.431 7.828 107 HG2 ARG 17 HG2 ARG 17 5.112 -1.562 6.660 108 HG3 ARG 17 HG3 ARG 17 5.568 -0.805 5.100 109 HD2 ARG 17 HD2 ARG 17 7.902 -0.784 5.714 110 HD3 ARG 17 HD3 ARG 17 7.528 -1.380 7.348 111 HE ARG 17 HE ARG 17 6.554 -3.241 5.387 112 HH11 ARG 17 HH11 ARG 17 9.595 -2.276 6.954 113 HH12 ARG 17 HH12 ARG 17 10.310 -3.842 6.550 114 HH21 ARG 17 HH21 ARG 17 7.769 -5.137 4.819 115 HH22 ARG 17 HH22 ARG 17 9.340 -5.307 5.590 116 H ALA 18 H ALA 18 5.079 2.305 9.015 117 HA ALA 18 HA ALA 18 4.319 5.007 8.588 118 HB1 ALA 18 HB1 ALA 18 5.898 5.443 10.436 119 HB2 ALA 18 HB2 ALA 18 4.918 3.995 10.753 120 HB3 ALA 18 HB3 ALA 18 6.606 3.825 10.220 121 H GLN 19 H GLN 19 7.136 3.288 7.399 122 HA GLN 19 HA GLN 19 8.087 5.702 5.906 123 HB2 GLN 19 HB2 GLN 19 10.217 4.567 5.701 124 HB3 GLN 19 HB3 GLN 19 9.780 4.942 7.358 125 HG2 GLN 19 HG2 GLN 19 9.213 2.182 6.196 126 HG3 GLN 19 HG3 GLN 19 10.806 2.651 6.772 127 HE21 GLN 19 HE22 GLN 19 11.020 3.345 9.065 128 HE22 GLN 19 HE21 GLN 19 9.818 2.814 10.256 129 H GLY 20 H GLY 20 6.148 3.123 5.389 130 HA2 GLY 20 HA2 GLY 20 5.370 1.963 3.620 131 HA3 GLY 20 HA3 GLY 20 6.134 3.179 2.574 132 H CYS 21 H CYS 21 6.360 1.551 1.064 133 HA CYS 21 HA CYS 21 8.453 -0.562 1.420 134 HB2 CYS 21 HB2 CYS 21 5.478 -0.696 0.860 135 HB3 CYS 21 HB3 CYS 21 6.508 -1.917 0.170 136 H LYS 22 H LYS 22 8.821 -1.757 -0.676 137 HA LYS 22 HA LYS 22 9.652 -0.123 -2.788 138 HB2 LYS 22 HB2 LYS 22 8.936 -3.082 -2.811 139 HB3 LYS 22 HB3 LYS 22 9.756 -2.263 -4.146 140 HG2 LYS 22 HG2 LYS 22 11.687 -1.768 -2.801 141 HG3 LYS 22 HG3 LYS 22 10.847 -2.248 -1.330 142 HD2 LYS 22 HD2 LYS 22 10.687 -4.599 -2.259 143 HD3 LYS 22 HD3 LYS 22 11.714 -4.079 -3.591 144 HE2 LYS 22 HE2 LYS 22 13.070 -5.206 -1.921 145 HE3 LYS 22 HE3 LYS 22 13.503 -3.496 -1.983 146 HZ1 LYS 22 HZ1 LYS 22 11.813 -4.765 0.116 147 HZ2 LYS 22 HZ2 LYS 22 13.327 -4.204 0.296 148 HZ3 LYS 22 HZ3 LYS 22 12.126 -3.150 0.018 149 H ASN 23 H ASN 23 6.840 -2.323 -3.166 150 HA ASN 23 HA ASN 23 5.301 -0.278 -4.543 151 HB2 ASN 23 HB2 ASN 23 6.865 -1.360 -6.296 152 HB3 ASN 23 HB3 ASN 23 5.869 -2.804 -6.113 153 HD21 ASN 23 HD22 ASN 23 5.986 -1.761 -8.602 154 HD22 ASN 23 HD21 ASN 23 4.506 -0.877 -8.952 155 H GLY 24 H GLY 24 3.097 -1.170 -5.136 156 HA2 GLY 24 HA2 GLY 24 2.014 -3.517 -3.885 157 HA3 GLY 24 HA3 GLY 24 1.767 -2.105 -2.839 158 H LYS 25 H LYS 25 -0.406 -3.449 -3.705 159 HA LYS 25 HA LYS 25 -1.797 -1.652 -5.626 160 HB2 LYS 25 HB2 LYS 25 -0.533 -3.684 -6.702 161 HB3 LYS 25 HB3 LYS 25 -1.768 -4.683 -5.958 162 HG2 LYS 25 HG2 LYS 25 -2.408 -4.357 -8.205 163 HG3 LYS 25 HG3 LYS 25 -3.485 -3.305 -7.283 164 HD2 LYS 25 HD2 LYS 25 -1.928 -1.369 -7.827 165 HD3 LYS 25 HD3 LYS 25 -0.959 -2.488 -8.807 166 HE2 LYS 25 HE2 LYS 25 -3.038 -2.977 -10.155 167 HE3 LYS 25 HE3 LYS 25 -3.881 -1.728 -9.230 168 HZ1 LYS 25 HZ1 LYS 25 -1.554 -1.347 -11.027 169 HZ2 LYS 25 HZ2 LYS 25 -3.085 -0.746 -11.216 170 HZ3 LYS 25 HZ3 LYS 25 -2.132 -0.160 -10.029 171 H CYS 26 H CYS 26 -4.195 -2.056 -5.672 172 HA CYS 26 HA CYS 26 -5.163 -2.880 -3.024 173 HB2 CYS 26 HB2 CYS 26 -6.715 -1.830 -5.394 174 HB3 CYS 26 HB3 CYS 26 -7.326 -2.071 -3.773 175 H MET 27 H MET 27 -6.320 -4.636 -2.495 176 HA MET 27 HA MET 27 -7.609 -6.315 -4.573 177 HB2 MET 27 HB2 MET 27 -5.450 -7.403 -4.201 178 HB3 MET 27 HB3 MET 27 -5.685 -7.353 -2.443 179 HG2 MET 27 HG2 MET 27 -6.108 -9.580 -3.341 180 HG3 MET 27 HG3 MET 27 -7.548 -8.918 -2.608 181 HE1 MET 27 HE1 MET 27 -7.562 -11.506 -4.397 182 HE2 MET 27 HE2 MET 27 -8.998 -10.793 -3.637 183 HE3 MET 27 HE3 MET 27 -9.023 -11.217 -5.353 184 H ASN 28 H ASN 28 -9.706 -6.428 -4.019 185 HA ASN 28 HA ASN 28 -11.611 -5.992 -2.874 186 HB2 ASN 28 HB2 ASN 28 -10.313 -8.004 -1.012 187 HB3 ASN 28 HB3 ASN 28 -12.003 -7.514 -0.911 188 HD21 ASN 28 HD22 ASN 28 -11.043 -10.266 -1.509 189 HD22 ASN 28 HD21 ASN 28 -11.830 -10.587 -3.034 190 H ARG 29 H ARG 29 -10.168 -3.951 -2.787 191 HA ARG 29 HA ARG 29 -9.055 -2.269 -1.994 192 HB2 ARG 29 HB2 ARG 29 -10.415 -0.604 -0.935 193 HB3 ARG 29 HB3 ARG 29 -11.229 -1.445 -2.247 194 HG2 ARG 29 HG2 ARG 29 -12.502 -2.783 -0.721 195 HG3 ARG 29 HG3 ARG 29 -11.606 -2.164 0.688 196 HD2 ARG 29 HD2 ARG 29 -12.466 0.121 0.177 197 HD3 ARG 29 HD3 ARG 29 -13.354 -0.525 -1.217 198 HE ARG 29 HE ARG 29 -14.218 -2.129 0.781 199 HH11 ARG 29 HH11 ARG 29 -14.067 1.420 0.729 200 HH12 ARG 29 HH12 ARG 29 -15.579 1.570 1.590 201 HH21 ARG 29 HH21 ARG 29 -15.820 -1.771 2.303 202 HH22 ARG 29 HH22 ARG 29 -16.273 -0.148 2.754 203 H LYS 30 H LYS 30 -8.100 -4.464 -0.512 204 HA LYS 30 HA LYS 30 -6.938 -2.921 1.789 205 HB2 LYS 30 HB2 LYS 30 -6.662 -5.895 1.288 206 HB3 LYS 30 HB3 LYS 30 -6.230 -5.000 2.745 207 HG2 LYS 30 HG2 LYS 30 -9.039 -5.499 1.663 208 HG3 LYS 30 HG3 LYS 30 -8.319 -6.292 3.045 209 HD2 LYS 30 HD2 LYS 30 -8.864 -3.284 2.920 210 HD3 LYS 30 HD3 LYS 30 -10.025 -4.446 3.511 211 HE2 LYS 30 HE2 LYS 30 -7.247 -4.046 4.702 212 HE3 LYS 30 HE3 LYS 30 -8.724 -3.271 5.282 213 HZ1 LYS 30 HZ1 LYS 30 -8.093 -6.165 5.372 214 HZ2 LYS 30 HZ2 LYS 30 -8.467 -5.144 6.605 215 HZ3 LYS 30 HZ3 LYS 30 -9.637 -5.603 5.539 216 H CYS 31 H CYS 31 -4.543 -2.951 1.974 217 HA CYS 31 HA CYS 31 -3.514 -2.434 -0.804 218 HB2 CYS 31 HB2 CYS 31 -3.689 -0.499 0.548 219 HB3 CYS 31 HB3 CYS 31 -2.887 -1.288 1.890 220 H LYS 32 H LYS 32 -2.925 -4.590 -1.332 221 HA LYS 32 HA LYS 32 -1.029 -6.141 0.183 222 HB2 LYS 32 HB2 LYS 32 -2.806 -6.998 -1.377 223 HB3 LYS 32 HB3 LYS 32 -2.002 -6.200 -2.720 224 HG2 LYS 32 HG2 LYS 32 -1.475 -8.508 -2.806 225 HG3 LYS 32 HG3 LYS 32 0.007 -7.660 -2.348 226 HD2 LYS 32 HD2 LYS 32 -0.283 -8.338 -0.004 227 HD3 LYS 32 HD3 LYS 32 -1.877 -9.047 -0.373 228 HE2 LYS 32 HE2 LYS 32 -0.833 -10.567 -1.994 229 HE3 LYS 32 HE3 LYS 32 0.755 -9.872 -1.639 230 HZ1 LYS 32 HZ1 LYS 32 0.561 -10.678 0.621 231 HZ2 LYS 32 HZ2 LYS 32 -0.941 -11.301 0.350 232 HZ3 LYS 32 HZ3 LYS 32 0.380 -11.967 -0.384 233 H CYS 33 H CYS 33 0.982 -5.315 0.501 234 HA CYS 33 HA CYS 33 2.423 -3.917 -1.665 235 HB2 CYS 33 HB2 CYS 33 2.851 -4.299 1.248 236 HB3 CYS 33 HB3 CYS 33 4.293 -4.369 0.244 237 H TYR 34 H TYR 34 3.949 -4.833 -2.990 238 HA TYR 34 HA TYR 34 3.569 -7.702 -3.408 239 HB2 TYR 34 HB2 TYR 34 5.228 -5.617 -4.873 240 HB3 TYR 34 HB3 TYR 34 4.989 -7.262 -5.423 241 HD1 TYR 34 HD1 TYR 34 1.942 -7.514 -4.875 242 HD2 TYR 34 HD2 TYR 34 4.406 -4.512 -6.754 243 HE1 TYR 34 HE1 TYR 34 0.136 -7.045 -6.514 244 HE2 TYR 34 HE2 TYR 34 2.583 -4.026 -8.372 245 HH TYR 34 HH TYR 34 0.622 -4.819 -9.254 246 H TYR 35 H TYR 35 6.325 -5.711 -2.501 247 HA TYR 35 HA TYR 35 8.053 -8.120 -2.121 248 HB2 TYR 35 HB2 TYR 35 8.800 -5.541 -3.526 249 HB3 TYR 35 HB3 TYR 35 9.908 -6.863 -3.158 250 HD1 TYR 35 HD1 TYR 35 9.371 -9.210 -4.096 251 HD2 TYR 35 HD2 TYR 35 7.691 -5.552 -5.644 252 HE1 TYR 35 HE1 TYR 35 8.820 -10.357 -6.236 253 HE2 TYR 35 HE2 TYR 35 7.089 -6.717 -7.754 254 HH TYR 35 HH TYR 35 6.993 -8.751 -8.851 255 H CYS 36 H CYS 36 6.607 -6.512 -0.103 256 HA CYS 36 HA CYS 36 8.673 -6.122 1.877 257 HB2 CYS 36 HB2 CYS 36 9.094 -4.104 0.694 258 HB3 CYS 36 HB3 CYS 36 7.377 -3.789 0.463 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 2.316 -3.472 8.453 2 H2 ALA 1 H2 ALA 1 1.913 -2.302 7.380 3 H3 ALA 1 H3 ALA 1 2.490 -3.757 6.848 4 HA ALA 1 HA ALA 1 0.599 -4.910 7.579 5 HB1 ALA 1 HB1 ALA 1 0.058 -3.551 9.561 6 HB2 ALA 1 HB2 ALA 1 -0.437 -2.195 8.517 7 HB3 ALA 1 HB3 ALA 1 -1.357 -3.724 8.511 8 H ALA 2 H ALA 2 -0.476 -5.485 5.787 9 HA ALA 2 HA ALA 2 -1.119 -3.477 3.701 10 HB1 ALA 2 HB1 ALA 2 0.234 -5.560 3.286 11 HB2 ALA 2 HB2 ALA 2 -1.227 -6.505 3.588 12 HB3 ALA 2 HB3 ALA 2 -1.164 -5.351 2.240 13 H ALA 3 H ALA 3 -2.676 -5.172 6.204 14 HA ALA 3 HA ALA 3 -5.387 -5.436 5.318 15 HB1 ALA 3 HB1 ALA 3 -4.313 -6.566 7.242 16 HB2 ALA 3 HB2 ALA 3 -4.104 -4.977 8.056 17 HB3 ALA 3 HB3 ALA 3 -5.723 -5.657 7.773 18 H ILE 4 H ILE 4 -4.353 -2.789 4.654 19 HA ILE 4 HA ILE 4 -5.675 -0.822 6.450 20 HB ILE 4 HB ILE 4 -4.231 0.793 5.212 21 HG12 ILE 4 HG12 ILE 4 -2.696 -1.579 4.093 22 HG13 ILE 4 HG13 ILE 4 -4.024 -0.882 3.171 23 HG21 ILE 4 HG21 ILE 4 -2.690 -1.496 6.518 24 HG22 ILE 4 HG22 ILE 4 -2.140 0.174 6.330 25 HG23 ILE 4 HG23 ILE 4 -3.522 -0.181 7.377 26 HD11 ILE 4 HD11 ILE 4 -2.978 1.232 3.061 27 HD12 ILE 4 HD12 ILE 4 -1.686 0.724 4.200 28 HD13 ILE 4 HD13 ILE 4 -1.801 0.015 2.566 29 H SER 5 H SER 5 -6.577 1.093 5.358 30 HA SER 5 HA SER 5 -8.394 0.266 3.188 31 HB2 SER 5 HB2 SER 5 -8.269 2.846 4.755 32 HB3 SER 5 HB3 SER 5 -9.477 2.396 3.526 33 HG SER 5 HG SER 5 -9.035 1.350 6.098 34 H CYS 6 H CYS 6 -7.577 0.232 1.271 35 HA CYS 6 HA CYS 6 -5.515 1.924 0.181 36 HB2 CYS 6 HB2 CYS 6 -5.653 -0.016 -0.957 37 HB3 CYS 6 HB3 CYS 6 -7.374 -0.185 -0.666 38 H VAL 7 H VAL 7 -9.007 2.331 0.361 39 HA VAL 7 HA VAL 7 -9.257 4.570 -1.413 40 HB VAL 7 HB VAL 7 -11.378 4.961 -0.197 41 HG11 VAL 7 HG11 VAL 7 -11.266 3.347 -2.034 42 HG12 VAL 7 HG12 VAL 7 -10.908 2.039 -0.891 43 HG13 VAL 7 HG13 VAL 7 -12.463 2.884 -0.821 44 HG21 VAL 7 HG21 VAL 7 -12.145 3.471 1.537 45 HG22 VAL 7 HG22 VAL 7 -10.623 2.577 1.555 46 HG23 VAL 7 HG23 VAL 7 -10.683 4.272 2.115 47 H GLY 8 H GLY 8 -7.580 4.435 1.448 48 HA2 GLY 8 HA2 GLY 8 -8.280 6.576 3.063 49 HA3 GLY 8 HA3 GLY 8 -6.671 5.861 2.830 50 H SER 9 H SER 9 -5.199 6.746 1.295 51 HA SER 9 HA SER 9 -6.047 9.182 -0.179 52 HB2 SER 9 HB2 SER 9 -5.409 10.310 1.774 53 HB3 SER 9 HB3 SER 9 -4.021 9.276 2.059 54 HG SER 9 HG SER 9 -2.937 10.742 1.066 55 HA PRO 10 HA PRO 10 -2.313 7.155 -2.236 56 HB2 PRO 10 HB2 PRO 10 -0.474 5.701 -0.946 57 HB3 PRO 10 HB3 PRO 10 -0.457 7.495 -0.782 58 HG2 PRO 10 HG2 PRO 10 -1.730 5.442 1.046 59 HG3 PRO 10 HG3 PRO 10 -0.590 6.739 1.539 60 HD2 PRO 10 HD2 PRO 10 -3.335 6.981 1.715 61 HD3 PRO 10 HD3 PRO 10 -2.262 8.362 1.295 62 H GLU 11 H GLU 11 -2.023 4.997 -3.178 63 HA GLU 11 HA GLU 11 -4.165 3.161 -2.753 64 HB2 GLU 11 HB2 GLU 11 -1.565 2.486 -4.170 65 HB3 GLU 11 HB3 GLU 11 -3.146 1.761 -4.366 66 HG2 GLU 11 HG2 GLU 11 -3.115 3.017 -6.249 67 HG3 GLU 11 HG3 GLU 11 -3.802 4.234 -5.176 68 H CYS 12 H CYS 12 -0.654 2.442 -2.238 69 HA CYS 12 HA CYS 12 -1.394 0.739 0.090 70 HB2 CYS 12 HB2 CYS 12 -2.015 -0.555 -1.800 71 HB3 CYS 12 HB3 CYS 12 -0.496 -0.294 -2.598 72 HA PRO 13 HA PRO 13 3.257 0.073 -0.016 73 HB2 PRO 13 HB2 PRO 13 4.874 1.818 -1.575 74 HB3 PRO 13 HB3 PRO 13 4.488 0.096 -1.869 75 HG2 PRO 13 HG2 PRO 13 3.222 2.555 -3.044 76 HG3 PRO 13 HG3 PRO 13 3.494 0.962 -3.792 77 HD2 PRO 13 HD2 PRO 13 1.052 1.744 -2.895 78 HD3 PRO 13 HD3 PRO 13 1.599 0.055 -2.796 79 HA PRO 14 HA PRO 14 4.644 4.275 1.746 80 HB2 PRO 14 HB2 PRO 14 3.218 6.565 1.443 81 HB3 PRO 14 HB3 PRO 14 4.353 5.970 0.188 82 HG2 PRO 14 HG2 PRO 14 1.362 5.536 0.346 83 HG3 PRO 14 HG3 PRO 14 2.296 6.188 -1.045 84 HD2 PRO 14 HD2 PRO 14 1.621 3.570 -0.936 85 HD3 PRO 14 HD3 PRO 14 3.250 4.076 -1.499 86 H LYS 15 H LYS 15 1.340 3.251 1.846 87 HA LYS 15 HA LYS 15 0.874 4.246 4.612 88 HB2 LYS 15 HB2 LYS 15 -0.797 4.303 2.603 89 HB3 LYS 15 HB3 LYS 15 -1.071 2.614 2.995 90 HG2 LYS 15 HG2 LYS 15 -1.531 3.500 5.425 91 HG3 LYS 15 HG3 LYS 15 -1.532 5.099 4.688 92 HD2 LYS 15 HD2 LYS 15 -3.561 2.874 4.338 93 HD3 LYS 15 HD3 LYS 15 -3.763 4.486 4.944 94 HE2 LYS 15 HE2 LYS 15 -4.644 4.873 2.917 95 HE3 LYS 15 HE3 LYS 15 -2.970 5.211 2.511 96 HZ1 LYS 15 HZ1 LYS 15 -2.894 2.826 1.690 97 HZ2 LYS 15 HZ2 LYS 15 -4.536 2.775 1.965 98 HZ3 LYS 15 HZ3 LYS 15 -3.906 3.790 0.851 99 H CYS 16 H CYS 16 2.093 1.492 3.023 100 HA CYS 16 HA CYS 16 1.198 -0.559 4.794 101 HB2 CYS 16 HB2 CYS 16 2.030 -0.760 2.428 102 HB3 CYS 16 HB3 CYS 16 3.675 -0.549 3.027 103 H ARG 17 H ARG 17 3.855 1.715 5.030 104 HA ARG 17 HA ARG 17 4.248 1.298 7.828 105 HB2 ARG 17 HB2 ARG 17 6.624 0.702 7.761 106 HB3 ARG 17 HB3 ARG 17 5.635 -0.555 7.029 107 HG2 ARG 17 HG2 ARG 17 6.216 0.425 4.742 108 HG3 ARG 17 HG3 ARG 17 7.319 1.524 5.584 109 HD2 ARG 17 HD2 ARG 17 8.550 -0.219 4.701 110 HD3 ARG 17 HD3 ARG 17 8.570 -0.440 6.456 111 HE ARG 17 HE ARG 17 6.517 -2.082 5.755 112 HH11 ARG 17 HH11 ARG 17 9.734 -1.968 4.279 113 HH12 ARG 17 HH12 ARG 17 9.657 -3.721 4.004 114 HH21 ARG 17 HH22 ARG 17 6.622 -4.245 5.360 115 HH22 ARG 17 HH21 ARG 17 8.015 -4.870 4.490 116 H ALA 18 H ALA 18 6.000 2.780 8.625 117 HA ALA 18 HA ALA 18 5.399 5.388 7.870 118 HB1 ALA 18 HB1 ALA 18 7.810 4.342 9.396 119 HB2 ALA 18 HB2 ALA 18 7.177 6.002 9.458 120 HB3 ALA 18 HB3 ALA 18 6.200 4.652 10.075 121 H GLN 19 H GLN 19 8.530 3.727 7.112 122 HA GLN 19 HA GLN 19 9.291 5.961 5.355 123 HB2 GLN 19 HB2 GLN 19 11.372 5.026 5.090 124 HB3 GLN 19 HB3 GLN 19 10.963 4.726 6.769 125 HG2 GLN 19 HG2 GLN 19 10.563 2.343 6.265 126 HG3 GLN 19 HG3 GLN 19 10.752 2.640 4.536 127 HE21 GLN 19 HE22 GLN 19 12.575 2.896 7.626 128 HE22 GLN 19 HE21 GLN 19 14.163 2.702 6.873 129 H GLY 20 H GLY 20 7.085 3.698 4.861 130 HA2 GLY 20 HA2 GLY 20 6.012 2.851 3.088 131 HA3 GLY 20 HA3 GLY 20 7.055 3.782 2.006 132 H CYS 21 H CYS 21 6.040 1.403 1.381 133 HA CYS 21 HA CYS 21 8.232 -0.632 1.351 134 HB2 CYS 21 HB2 CYS 21 5.949 -1.376 1.855 135 HB3 CYS 21 HB3 CYS 21 5.355 -0.561 0.412 136 H LYS 22 H LYS 22 8.822 -1.471 -0.729 137 HA LYS 22 HA LYS 22 9.587 0.456 -2.699 138 HB2 LYS 22 HB2 LYS 22 9.320 -2.568 -3.051 139 HB3 LYS 22 HB3 LYS 22 10.232 -1.458 -4.076 140 HG2 LYS 22 HG2 LYS 22 11.692 -0.902 -2.088 141 HG3 LYS 22 HG3 LYS 22 10.826 -2.166 -1.181 142 HD2 LYS 22 HD2 LYS 22 11.487 -3.845 -2.880 143 HD3 LYS 22 HD3 LYS 22 12.381 -2.582 -3.757 144 HE2 LYS 22 HE2 LYS 22 14.118 -3.467 -2.559 145 HE3 LYS 22 HE3 LYS 22 13.587 -2.233 -1.419 146 HZ1 LYS 22 HZ1 LYS 22 12.207 -4.073 -0.376 147 HZ2 LYS 22 HZ2 LYS 22 12.952 -5.138 -1.371 148 HZ3 LYS 22 HZ3 LYS 22 13.832 -4.305 -0.259 149 H ASN 23 H ASN 23 6.986 -2.007 -2.921 150 HA ASN 23 HA ASN 23 5.295 -0.266 -4.502 151 HB2 ASN 23 HB2 ASN 23 7.046 -1.204 -6.153 152 HB3 ASN 23 HB3 ASN 23 6.319 -2.780 -5.879 153 HD21 ASN 23 HD22 ASN 23 6.239 -2.350 -8.314 154 HD22 ASN 23 HD21 ASN 23 4.719 -1.659 -8.902 155 H GLY 24 H GLY 24 3.287 -1.534 -5.222 156 HA2 GLY 24 HA2 GLY 24 2.543 -4.005 -3.978 157 HA3 GLY 24 HA3 GLY 24 1.913 -2.644 -3.044 158 H LYS 25 H LYS 25 -0.114 -3.752 -3.683 159 HA LYS 25 HA LYS 25 -1.300 -2.236 -5.892 160 HB2 LYS 25 HB2 LYS 25 -0.552 -4.870 -6.427 161 HB3 LYS 25 HB3 LYS 25 -2.251 -5.047 -5.980 162 HG2 LYS 25 HG2 LYS 25 -2.724 -3.112 -7.601 163 HG3 LYS 25 HG3 LYS 25 -1.047 -3.251 -8.129 164 HD2 LYS 25 HD2 LYS 25 -1.516 -5.629 -8.804 165 HD3 LYS 25 HD3 LYS 25 -3.209 -5.395 -8.310 166 HE2 LYS 25 HE2 LYS 25 -3.285 -3.383 -9.881 167 HE3 LYS 25 HE3 LYS 25 -1.680 -3.847 -10.455 168 HZ1 LYS 25 HZ1 LYS 25 -3.435 -4.712 -11.888 169 HZ2 LYS 25 HZ2 LYS 25 -2.665 -5.988 -11.159 170 HZ3 LYS 25 HZ3 LYS 25 -4.139 -5.490 -10.644 171 H CYS 26 H CYS 26 -3.715 -2.378 -5.950 172 HA CYS 26 HA CYS 26 -4.908 -3.042 -3.292 173 HB2 CYS 26 HB2 CYS 26 -4.706 -0.686 -3.427 174 HB3 CYS 26 HB3 CYS 26 -5.328 -0.639 -5.077 175 H MET 27 H MET 27 -6.244 -4.715 -3.454 176 HA MET 27 HA MET 27 -7.244 -5.515 -6.087 177 HB2 MET 27 HB2 MET 27 -7.575 -6.922 -3.428 178 HB3 MET 27 HB3 MET 27 -7.811 -7.606 -5.036 179 HG2 MET 27 HG2 MET 27 -5.196 -6.717 -3.764 180 HG3 MET 27 HG3 MET 27 -5.703 -8.360 -4.170 181 HE1 MET 27 HE1 MET 27 -3.471 -8.946 -5.374 182 HE2 MET 27 HE2 MET 27 -2.688 -7.907 -6.593 183 HE3 MET 27 HE3 MET 27 -2.841 -7.340 -4.907 184 H ASN 28 H ASN 28 -8.681 -3.940 -3.386 185 HA ASN 28 HA ASN 28 -10.996 -3.315 -4.930 186 HB2 ASN 28 HB2 ASN 28 -12.771 -4.080 -3.457 187 HB3 ASN 28 HB3 ASN 28 -11.932 -5.420 -4.181 188 HD21 ASN 28 HD22 ASN 28 -13.627 -5.668 -1.952 189 HD22 ASN 28 HD21 ASN 28 -12.659 -6.052 -0.536 190 H ARG 29 H ARG 29 -10.834 -3.381 -1.372 191 HA ARG 29 HA ARG 29 -9.973 -0.536 -1.309 192 HB2 ARG 29 HB2 ARG 29 -11.326 -0.147 0.642 193 HB3 ARG 29 HB3 ARG 29 -12.344 -0.628 -0.697 194 HG2 ARG 29 HG2 ARG 29 -12.975 -2.627 0.264 195 HG3 ARG 29 HG3 ARG 29 -11.470 -2.842 1.152 196 HD2 ARG 29 HD2 ARG 29 -13.433 -0.640 1.846 197 HD3 ARG 29 HD3 ARG 29 -13.574 -2.264 2.525 198 HE ARG 29 HE ARG 29 -11.580 -0.221 3.170 199 HH11 ARG 29 HH11 ARG 29 -12.520 -3.577 3.694 200 HH12 ARG 29 HH12 ARG 29 -11.604 -3.638 5.158 201 HH21 ARG 29 HH21 ARG 29 -10.293 -0.526 4.991 202 HH22 ARG 29 HH22 ARG 29 -10.071 -2.160 5.596 203 H LYS 30 H LYS 30 -8.900 -3.551 -0.789 204 HA LYS 30 HA LYS 30 -7.172 -2.798 1.535 205 HB2 LYS 30 HB2 LYS 30 -8.199 -5.520 0.671 206 HB3 LYS 30 HB3 LYS 30 -6.940 -5.272 1.894 207 HG2 LYS 30 HG2 LYS 30 -8.502 -3.861 3.227 208 HG3 LYS 30 HG3 LYS 30 -9.787 -4.176 2.057 209 HD2 LYS 30 HD2 LYS 30 -8.371 -6.298 3.709 210 HD3 LYS 30 HD3 LYS 30 -9.947 -5.582 4.086 211 HE2 LYS 30 HE2 LYS 30 -10.819 -6.413 1.888 212 HE3 LYS 30 HE3 LYS 30 -9.271 -7.211 1.597 213 HZ1 LYS 30 HZ1 LYS 30 -10.783 -8.798 2.565 214 HZ2 LYS 30 HZ2 LYS 30 -9.665 -8.422 3.730 215 HZ3 LYS 30 HZ3 LYS 30 -11.165 -7.786 3.800 216 H CYS 31 H CYS 31 -5.027 -3.673 1.556 217 HA CYS 31 HA CYS 31 -3.727 -3.311 -1.111 218 HB2 CYS 31 HB2 CYS 31 -3.334 -1.422 0.184 219 HB3 CYS 31 HB3 CYS 31 -3.368 -2.319 1.671 220 H LYS 32 H LYS 32 -1.725 -4.217 -1.503 221 HA LYS 32 HA LYS 32 -0.787 -6.528 0.123 222 HB2 LYS 32 HB2 LYS 32 -1.389 -6.518 -2.872 223 HB3 LYS 32 HB3 LYS 32 -0.351 -7.699 -2.108 224 HG2 LYS 32 HG2 LYS 32 -3.306 -7.286 -1.511 225 HG3 LYS 32 HG3 LYS 32 -2.615 -8.575 -2.483 226 HD2 LYS 32 HD2 LYS 32 -2.150 -8.191 0.511 227 HD3 LYS 32 HD3 LYS 32 -3.235 -9.350 -0.248 228 HE2 LYS 32 HE2 LYS 32 -1.242 -10.370 -1.418 229 HE3 LYS 32 HE3 LYS 32 -0.201 -9.273 -0.502 230 HZ1 LYS 32 HZ1 LYS 32 -1.099 -10.288 1.552 231 HZ2 LYS 32 HZ2 LYS 32 -1.998 -11.333 0.651 232 HZ3 LYS 32 HZ3 LYS 32 -0.365 -11.403 0.577 233 H CYS 33 H CYS 33 1.287 -6.219 0.593 234 HA CYS 33 HA CYS 33 2.843 -4.197 -0.939 235 HB2 CYS 33 HB2 CYS 33 3.440 -5.415 1.771 236 HB3 CYS 33 HB3 CYS 33 4.171 -3.984 1.039 237 H TYR 34 H TYR 34 4.095 -4.939 -2.557 238 HA TYR 34 HA TYR 34 4.341 -7.724 -3.013 239 HB2 TYR 34 HB2 TYR 34 5.642 -5.358 -4.390 240 HB3 TYR 34 HB3 TYR 34 5.730 -7.008 -4.970 241 HD1 TYR 34 HD2 TYR 34 2.673 -7.736 -4.418 242 HD2 TYR 34 HD1 TYR 34 4.776 -4.525 -6.413 243 HE1 TYR 34 HE2 TYR 34 0.894 -7.613 -6.129 244 HE2 TYR 34 HE1 TYR 34 2.948 -4.368 -8.072 245 HH TYR 34 HH TYR 34 1.016 -5.259 -8.837 246 H TYR 35 H TYR 35 7.096 -5.480 -2.392 247 HA TYR 35 HA TYR 35 8.863 -7.890 -2.095 248 HB2 TYR 35 HB2 TYR 35 9.586 -5.366 -3.605 249 HB3 TYR 35 HB3 TYR 35 10.474 -6.881 -3.556 250 HD1 TYR 35 HD2 TYR 35 8.950 -9.014 -4.363 251 HD2 TYR 35 HD1 TYR 35 8.483 -4.902 -5.602 252 HE1 TYR 35 HE2 TYR 35 7.778 -9.765 -6.417 253 HE2 TYR 35 HE1 TYR 35 7.279 -5.658 -7.638 254 HH TYR 35 HH TYR 35 6.750 -9.133 -8.340 255 H CYS 36 H CYS 36 7.941 -6.472 0.206 256 HA CYS 36 HA CYS 36 10.444 -5.310 1.277 257 HB2 CYS 36 HB2 CYS 36 9.220 -3.293 1.758 258 HB3 CYS 36 HB3 CYS 36 9.023 -3.649 0.067 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 5.181 -5.988 4.192 2 H2 ALA 1 H2 ALA 1 4.601 -6.505 5.655 3 H3 ALA 1 H3 ALA 1 4.653 -4.908 5.316 4 HA ALA 1 HA ALA 1 3.027 -5.105 3.601 5 HB1 ALA 1 HB1 ALA 1 2.956 -8.041 4.431 6 HB2 ALA 1 HB2 ALA 1 1.854 -7.267 3.278 7 HB3 ALA 1 HB3 ALA 1 3.573 -7.414 2.889 8 H ALA 2 H ALA 2 0.968 -4.365 4.283 9 HA ALA 2 HA ALA 2 -0.083 -5.249 6.865 10 HB1 ALA 2 HB1 ALA 2 0.490 -2.317 6.272 11 HB2 ALA 2 HB2 ALA 2 -0.392 -2.954 7.677 12 HB3 ALA 2 HB3 ALA 2 1.333 -3.320 7.475 13 H ALA 3 H ALA 3 -2.376 -5.049 6.957 14 HA ALA 3 HA ALA 3 -3.606 -4.754 4.277 15 HB1 ALA 3 HB1 ALA 3 -5.536 -5.790 5.303 16 HB2 ALA 3 HB2 ALA 3 -4.065 -6.783 5.507 17 HB3 ALA 3 HB3 ALA 3 -4.700 -5.823 6.878 18 H ILE 4 H ILE 4 -3.565 -2.540 4.010 19 HA ILE 4 HA ILE 4 -4.886 -0.843 6.023 20 HB ILE 4 HB ILE 4 -3.788 1.004 4.967 21 HG12 ILE 4 HG12 ILE 4 -1.664 0.122 3.624 22 HG13 ILE 4 HG13 ILE 4 -2.756 -1.148 3.091 23 HG21 ILE 4 HG21 ILE 4 -1.638 0.557 5.784 24 HG22 ILE 4 HG22 ILE 4 -2.839 -0.147 6.896 25 HG23 ILE 4 HG23 ILE 4 -1.916 -1.209 5.798 26 HD11 ILE 4 HD11 ILE 4 -4.293 0.507 2.208 27 HD12 ILE 4 HD12 ILE 4 -3.322 1.809 2.943 28 HD13 ILE 4 HD13 ILE 4 -2.665 0.855 1.605 29 H SER 5 H SER 5 -6.291 0.782 5.445 30 HA SER 5 HA SER 5 -8.223 0.338 3.345 31 HB2 SER 5 HB2 SER 5 -7.571 2.827 4.958 32 HB3 SER 5 HB3 SER 5 -9.028 2.568 3.986 33 HG SER 5 HG SER 5 -9.288 2.125 6.211 34 H CYS 6 H CYS 6 -7.624 0.393 1.286 35 HA CYS 6 HA CYS 6 -5.537 1.930 0.095 36 HB2 CYS 6 HB2 CYS 6 -6.783 -0.078 -0.820 37 HB3 CYS 6 HB3 CYS 6 -8.127 1.003 -1.177 38 H VAL 7 H VAL 7 -8.898 2.762 0.783 39 HA VAL 7 HA VAL 7 -9.388 4.739 -1.089 40 HB VAL 7 HB VAL 7 -10.904 3.473 0.495 41 HG11 VAL 7 HG11 VAL 7 -10.491 5.824 2.385 42 HG12 VAL 7 HG12 VAL 7 -11.586 4.445 2.573 43 HG13 VAL 7 HG13 VAL 7 -9.844 4.187 2.645 44 HG21 VAL 7 HG21 VAL 7 -11.707 5.200 -1.077 45 HG22 VAL 7 HG22 VAL 7 -12.688 5.027 0.383 46 HG23 VAL 7 HG23 VAL 7 -11.580 6.401 0.230 47 H GLY 8 H GLY 8 -7.556 5.148 1.809 48 HA2 GLY 8 HA2 GLY 8 -7.957 7.593 2.820 49 HA3 GLY 8 HA3 GLY 8 -6.367 6.836 2.682 50 H SER 9 H SER 9 -4.805 7.728 1.570 51 HA SER 9 HA SER 9 -5.418 10.184 -0.066 52 HB2 SER 9 HB2 SER 9 -3.468 9.818 2.185 53 HB3 SER 9 HB3 SER 9 -3.156 10.998 0.882 54 HG SER 9 HG SER 9 -4.275 11.938 2.619 55 HA PRO 10 HA PRO 10 -2.021 7.755 -2.309 56 HB2 PRO 10 HB2 PRO 10 -0.383 6.042 -1.086 57 HB3 PRO 10 HB3 PRO 10 -0.100 7.813 -0.904 58 HG2 PRO 10 HG2 PRO 10 -1.572 5.924 0.960 59 HG3 PRO 10 HG3 PRO 10 -0.257 7.067 1.405 60 HD2 PRO 10 HD2 PRO 10 -2.940 7.650 1.685 61 HD3 PRO 10 HD3 PRO 10 -1.716 8.889 1.235 62 H GLU 11 H GLU 11 -1.694 5.314 -2.978 63 HA GLU 11 HA GLU 11 -4.179 3.815 -2.441 64 HB2 GLU 11 HB2 GLU 11 -1.808 3.213 -4.250 65 HB3 GLU 11 HB3 GLU 11 -3.230 2.189 -4.060 66 HG2 GLU 11 HG2 GLU 11 -4.681 4.020 -4.906 67 HG3 GLU 11 HG3 GLU 11 -3.236 5.023 -5.149 68 H CYS 12 H CYS 12 -0.902 2.412 -2.627 69 HA CYS 12 HA CYS 12 -1.575 0.855 -0.169 70 HB2 CYS 12 HB2 CYS 12 -2.299 -0.304 -2.064 71 HB3 CYS 12 HB3 CYS 12 -0.775 -0.153 -2.882 72 HA PRO 13 HA PRO 13 2.989 0.002 -0.118 73 HB2 PRO 13 HB2 PRO 13 4.760 1.474 -1.715 74 HB3 PRO 13 HB3 PRO 13 4.218 -0.204 -1.949 75 HG2 PRO 13 HG2 PRO 13 3.283 2.294 -3.314 76 HG3 PRO 13 HG3 PRO 13 3.336 0.626 -3.938 77 HD2 PRO 13 HD2 PRO 13 1.033 1.881 -3.070 78 HD3 PRO 13 HD3 PRO 13 1.283 0.112 -3.043 79 HA PRO 14 HA PRO 14 4.569 4.202 1.369 80 HB2 PRO 14 HB2 PRO 14 3.363 6.559 0.932 81 HB3 PRO 14 HB3 PRO 14 4.380 5.794 -0.336 82 HG2 PRO 14 HG2 PRO 14 1.389 5.573 0.017 83 HG3 PRO 14 HG3 PRO 14 2.258 6.117 -1.461 84 HD2 PRO 14 HD2 PRO 14 1.416 3.561 -1.158 85 HD3 PRO 14 HD3 PRO 14 3.018 3.914 -1.899 86 H LYS 15 H LYS 15 1.368 3.043 1.583 87 HA LYS 15 HA LYS 15 0.966 4.270 4.271 88 HB2 LYS 15 HB2 LYS 15 -0.813 4.316 2.299 89 HB3 LYS 15 HB3 LYS 15 -1.189 2.692 2.890 90 HG2 LYS 15 HG2 LYS 15 -1.435 3.744 5.206 91 HG3 LYS 15 HG3 LYS 15 -1.178 5.313 4.456 92 HD2 LYS 15 HD2 LYS 15 -3.600 3.495 4.187 93 HD3 LYS 15 HD3 LYS 15 -3.463 5.064 4.908 94 HE2 LYS 15 HE2 LYS 15 -4.424 5.758 3.030 95 HE3 LYS 15 HE3 LYS 15 -2.754 5.845 2.482 96 HZ1 LYS 15 HZ1 LYS 15 -4.167 4.736 0.833 97 HZ2 LYS 15 HZ2 LYS 15 -3.144 3.623 1.384 98 HZ3 LYS 15 HZ3 LYS 15 -4.694 3.649 1.949 99 H CYS 16 H CYS 16 2.182 1.403 2.902 100 HA CYS 16 HA CYS 16 1.245 -0.481 4.867 101 HB2 CYS 16 HB2 CYS 16 3.661 -0.505 3.020 102 HB3 CYS 16 HB3 CYS 16 3.152 -1.879 4.005 103 H ARG 17 H ARG 17 3.834 1.866 5.010 104 HA ARG 17 HA ARG 17 4.419 1.249 7.834 105 HB2 ARG 17 HB2 ARG 17 6.754 1.633 5.921 106 HB3 ARG 17 HB3 ARG 17 6.791 1.185 7.612 107 HG2 ARG 17 HG2 ARG 17 5.691 -0.978 6.980 108 HG3 ARG 17 HG3 ARG 17 5.899 -0.479 5.266 109 HD2 ARG 17 HD2 ARG 17 8.309 -0.368 5.584 110 HD3 ARG 17 HD3 ARG 17 8.142 -0.800 7.293 111 HE ARG 17 HE ARG 17 7.188 -2.594 5.098 112 HH11 ARG 17 HH11 ARG 17 9.043 -2.373 8.127 113 HH12 ARG 17 HH12 ARG 17 9.531 -4.051 7.963 114 HH21 ARG 17 HH21 ARG 17 7.874 -4.807 5.142 115 HH22 ARG 17 HH22 ARG 17 8.894 -5.263 6.487 116 H ALA 18 H ALA 18 5.974 3.140 8.676 117 HA ALA 18 HA ALA 18 5.035 5.735 7.799 118 HB1 ALA 18 HB1 ALA 18 5.935 5.266 10.062 119 HB2 ALA 18 HB2 ALA 18 7.544 4.978 9.364 120 HB3 ALA 18 HB3 ALA 18 6.799 6.589 9.260 121 H GLN 19 H GLN 19 7.980 3.822 7.076 122 HA GLN 19 HA GLN 19 8.861 5.725 4.998 123 HB2 GLN 19 HB2 GLN 19 10.815 4.417 4.806 124 HB3 GLN 19 HB3 GLN 19 10.531 4.829 6.487 125 HG2 GLN 19 HG2 GLN 19 9.622 2.128 5.385 126 HG3 GLN 19 HG3 GLN 19 11.294 2.448 5.762 127 HE21 GLN 19 HE22 GLN 19 10.818 0.525 7.263 128 HE22 GLN 19 HE21 GLN 19 10.327 1.002 8.893 129 H GLY 20 H GLY 20 6.510 3.569 4.957 130 HA2 GLY 20 HA2 GLY 20 5.475 2.140 3.545 131 HA3 GLY 20 HA3 GLY 20 6.122 3.169 2.239 132 H CYS 21 H CYS 21 6.256 1.470 0.839 133 HA CYS 21 HA CYS 21 8.237 -0.692 1.318 134 HB2 CYS 21 HB2 CYS 21 5.241 -0.868 0.904 135 HB3 CYS 21 HB3 CYS 21 6.257 -2.139 0.262 136 H LYS 22 H LYS 22 8.771 -1.959 -0.515 137 HA LYS 22 HA LYS 22 9.670 -0.391 -2.650 138 HB2 LYS 22 HB2 LYS 22 9.290 -3.418 -2.682 139 HB3 LYS 22 HB3 LYS 22 10.399 -2.476 -3.686 140 HG2 LYS 22 HG2 LYS 22 11.595 -1.742 -1.583 141 HG3 LYS 22 HG3 LYS 22 10.505 -2.807 -0.667 142 HD2 LYS 22 HD2 LYS 22 11.348 -4.747 -2.018 143 HD3 LYS 22 HD3 LYS 22 12.505 -3.671 -2.791 144 HE2 LYS 22 HE2 LYS 22 13.564 -4.950 -1.015 145 HE3 LYS 22 HE3 LYS 22 13.584 -3.227 -0.611 146 HZ1 LYS 22 HZ1 LYS 22 11.517 -5.085 0.427 147 HZ2 LYS 22 HZ2 LYS 22 12.921 -4.817 1.236 148 HZ3 LYS 22 HZ3 LYS 22 11.876 -3.576 0.985 149 H ASN 23 H ASN 23 6.838 -2.616 -2.731 150 HA ASN 23 HA ASN 23 5.491 -0.778 -4.520 151 HB2 ASN 23 HB2 ASN 23 6.972 -2.465 -5.939 152 HB3 ASN 23 HB3 ASN 23 5.689 -3.606 -5.607 153 HD21 ASN 23 HD22 ASN 23 6.606 -2.419 -8.157 154 HD22 ASN 23 HD21 ASN 23 5.136 -1.711 -8.842 155 H GLY 24 H GLY 24 3.199 -1.829 -5.068 156 HA2 GLY 24 HA2 GLY 24 2.028 -3.864 -3.526 157 HA3 GLY 24 HA3 GLY 24 1.839 -2.373 -2.597 158 H LYS 25 H LYS 25 -0.331 -3.869 -3.671 159 HA LYS 25 HA LYS 25 -1.581 -1.884 -5.518 160 HB2 LYS 25 HB2 LYS 25 -0.466 -3.716 -6.848 161 HB3 LYS 25 HB3 LYS 25 -1.463 -4.889 -5.995 162 HG2 LYS 25 HG2 LYS 25 -2.495 -4.599 -8.068 163 HG3 LYS 25 HG3 LYS 25 -3.503 -3.695 -6.957 164 HD2 LYS 25 HD2 LYS 25 -2.251 -1.592 -7.735 165 HD3 LYS 25 HD3 LYS 25 -1.458 -2.612 -8.947 166 HE2 LYS 25 HE2 LYS 25 -3.711 -3.323 -9.778 167 HE3 LYS 25 HE3 LYS 25 -4.485 -2.260 -8.594 168 HZ1 LYS 25 HZ1 LYS 25 -4.385 -1.299 -10.813 169 HZ2 LYS 25 HZ2 LYS 25 -3.552 -0.354 -9.761 170 HZ3 LYS 25 HZ3 LYS 25 -2.734 -1.323 -10.803 171 H CYS 26 H CYS 26 -3.849 -1.763 -5.354 172 HA CYS 26 HA CYS 26 -5.044 -3.147 -3.025 173 HB2 CYS 26 HB2 CYS 26 -6.214 -0.972 -4.758 174 HB3 CYS 26 HB3 CYS 26 -6.845 -1.573 -3.229 175 H MET 27 H MET 27 -6.759 -4.560 -3.105 176 HA MET 27 HA MET 27 -7.257 -5.842 -5.745 177 HB2 MET 27 HB2 MET 27 -8.145 -6.707 -2.991 178 HB3 MET 27 HB3 MET 27 -8.285 -7.639 -4.481 179 HG2 MET 27 HG2 MET 27 -5.659 -6.816 -3.162 180 HG3 MET 27 HG3 MET 27 -6.456 -8.362 -3.005 181 HE1 MET 27 HE1 MET 27 -4.992 -6.005 -6.045 182 HE2 MET 27 HE2 MET 27 -3.815 -6.399 -4.765 183 HE3 MET 27 HE3 MET 27 -3.656 -7.114 -6.384 184 H ASN 28 H ASN 28 -9.394 -4.826 -3.001 185 HA ASN 28 HA ASN 28 -11.133 -3.521 -5.037 186 HB2 ASN 28 HB2 ASN 28 -12.142 -5.657 -4.137 187 HB3 ASN 28 HB3 ASN 28 -12.254 -4.877 -2.566 188 HD21 ASN 28 HD22 ASN 28 -13.373 -4.768 -5.941 189 HD22 ASN 28 HD21 ASN 28 -14.849 -3.882 -5.558 190 H ARG 29 H ARG 29 -10.957 -3.477 -1.464 191 HA ARG 29 HA ARG 29 -10.108 -0.619 -1.627 192 HB2 ARG 29 HB2 ARG 29 -11.517 0.019 0.215 193 HB3 ARG 29 HB3 ARG 29 -12.452 -0.560 -1.151 194 HG2 ARG 29 HG2 ARG 29 -12.808 -2.748 0.000 195 HG3 ARG 29 HG3 ARG 29 -11.795 -2.197 1.345 196 HD2 ARG 29 HD2 ARG 29 -14.087 -1.944 1.969 197 HD3 ARG 29 HD3 ARG 29 -13.374 -0.331 1.766 198 HE ARG 29 HE ARG 29 -14.476 -0.714 -0.691 199 HH11 ARG 29 HH11 ARG 29 -16.028 -1.239 2.437 200 HH12 ARG 29 HH12 ARG 29 -17.598 -0.859 1.784 201 HH21 ARG 29 HH21 ARG 29 -16.386 -0.354 -1.428 202 HH22 ARG 29 HH22 ARG 29 -17.820 -0.377 -0.395 203 H LYS 30 H LYS 30 -9.337 -3.655 -0.436 204 HA LYS 30 HA LYS 30 -7.392 -2.403 1.486 205 HB2 LYS 30 HB2 LYS 30 -8.345 -5.276 1.390 206 HB3 LYS 30 HB3 LYS 30 -7.081 -4.656 2.450 207 HG2 LYS 30 HG2 LYS 30 -10.009 -3.802 2.487 208 HG3 LYS 30 HG3 LYS 30 -9.227 -4.903 3.615 209 HD2 LYS 30 HD2 LYS 30 -7.741 -3.055 4.397 210 HD3 LYS 30 HD3 LYS 30 -8.593 -1.936 3.298 211 HE2 LYS 30 HE2 LYS 30 -10.724 -2.426 4.434 212 HE3 LYS 30 HE3 LYS 30 -9.905 -3.549 5.518 213 HZ1 LYS 30 HZ1 LYS 30 -9.450 -0.608 5.418 214 HZ2 LYS 30 HZ2 LYS 30 -10.213 -1.432 6.590 215 HZ3 LYS 30 HZ3 LYS 30 -8.610 -1.660 6.381 216 H CYS 31 H CYS 31 -5.342 -3.269 1.590 217 HA CYS 31 HA CYS 31 -4.138 -3.323 -1.128 218 HB2 CYS 31 HB2 CYS 31 -3.667 -1.285 -0.169 219 HB3 CYS 31 HB3 CYS 31 -3.724 -1.934 1.444 220 H LYS 32 H LYS 32 -2.608 -4.690 -1.720 221 HA LYS 32 HA LYS 32 -1.420 -6.628 0.235 222 HB2 LYS 32 HB2 LYS 32 -2.773 -7.816 -1.391 223 HB3 LYS 32 HB3 LYS 32 -2.008 -6.962 -2.739 224 HG2 LYS 32 HG2 LYS 32 0.150 -7.990 -2.271 225 HG3 LYS 32 HG3 LYS 32 -0.461 -8.736 -0.795 226 HD2 LYS 32 HD2 LYS 32 -1.516 -9.375 -3.587 227 HD3 LYS 32 HD3 LYS 32 -0.236 -10.286 -2.766 228 HE2 LYS 32 HE2 LYS 32 -1.755 -10.741 -0.873 229 HE3 LYS 32 HE3 LYS 32 -3.060 -9.894 -1.714 230 HZ1 LYS 32 HZ1 LYS 32 -3.250 -12.287 -2.141 231 HZ2 LYS 32 HZ2 LYS 32 -2.811 -11.549 -3.546 232 HZ3 LYS 32 HZ3 LYS 32 -1.706 -12.369 -2.683 233 H CYS 33 H CYS 33 0.511 -6.006 0.743 234 HA CYS 33 HA CYS 33 2.048 -4.202 -1.035 235 HB2 CYS 33 HB2 CYS 33 1.809 -4.442 1.786 236 HB3 CYS 33 HB3 CYS 33 3.491 -4.800 1.367 237 H TYR 34 H TYR 34 4.094 -4.609 -1.876 238 HA TYR 34 HA TYR 34 4.758 -7.508 -2.153 239 HB2 TYR 34 HB2 TYR 34 5.000 -5.319 -4.216 240 HB3 TYR 34 HB3 TYR 34 5.446 -6.995 -4.432 241 HD1 TYR 34 HD1 TYR 34 3.277 -8.605 -3.489 242 HD2 TYR 34 HD2 TYR 34 3.128 -4.851 -5.640 243 HE1 TYR 34 HE1 TYR 34 1.117 -9.276 -4.555 244 HE2 TYR 34 HE2 TYR 34 1.014 -5.523 -6.660 245 HH TYR 34 HH TYR 34 -0.415 -7.204 -7.038 246 H TYR 35 H TYR 35 6.780 -8.123 -2.288 247 HA TYR 35 HA TYR 35 8.910 -8.320 -1.535 248 HB2 TYR 35 HB2 TYR 35 9.164 -5.705 -3.033 249 HB3 TYR 35 HB3 TYR 35 10.500 -6.786 -2.621 250 HD1 TYR 35 HD2 TYR 35 10.766 -8.970 -3.743 251 HD2 TYR 35 HD1 TYR 35 7.690 -6.176 -4.893 252 HE1 TYR 35 HE2 TYR 35 10.488 -10.166 -5.902 253 HE2 TYR 35 HE1 TYR 35 7.367 -7.422 -7.035 254 HH TYR 35 HH TYR 35 9.300 -10.326 -7.827 255 H CYS 36 H CYS 36 7.097 -6.844 0.338 256 HA CYS 36 HA CYS 36 8.975 -5.864 2.338 257 HB2 CYS 36 HB2 CYS 36 8.944 -4.020 0.734 258 HB3 CYS 36 HB3 CYS 36 7.186 -4.011 0.740 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 4.236 -7.614 4.102 2 H2 ALA 1 H2 ALA 1 4.060 -6.403 3.019 3 H3 ALA 1 H3 ALA 1 3.927 -7.960 2.519 4 HA ALA 1 HA ALA 1 1.773 -6.956 2.659 5 HB1 ALA 1 HB1 ALA 1 0.722 -8.698 4.075 6 HB2 ALA 1 HB2 ALA 1 1.981 -9.378 3.018 7 HB3 ALA 1 HB3 ALA 1 2.308 -9.115 4.747 8 H ALA 2 H ALA 2 0.302 -5.582 3.704 9 HA ALA 2 HA ALA 2 0.258 -5.341 6.558 10 HB1 ALA 2 HB1 ALA 2 1.128 -2.911 4.908 11 HB2 ALA 2 HB2 ALA 2 0.642 -2.877 6.616 12 HB3 ALA 2 HB3 ALA 2 2.115 -3.735 6.131 13 H ALA 3 H ALA 3 -1.974 -5.409 6.837 14 HA ALA 3 HA ALA 3 -3.672 -4.660 4.580 15 HB1 ALA 3 HB1 ALA 3 -5.521 -5.313 5.979 16 HB2 ALA 3 HB2 ALA 3 -4.275 -6.574 5.847 17 HB3 ALA 3 HB3 ALA 3 -4.412 -5.600 7.348 18 H ILE 4 H ILE 4 -3.764 -2.672 4.134 19 HA ILE 4 HA ILE 4 -4.745 -0.655 6.107 20 HB ILE 4 HB ILE 4 -3.475 1.019 4.852 21 HG12 ILE 4 HG12 ILE 4 -1.362 -0.454 3.789 22 HG13 ILE 4 HG13 ILE 4 -2.751 -1.334 3.195 23 HG21 ILE 4 HG21 ILE 4 -1.746 -1.122 6.100 24 HG22 ILE 4 HG22 ILE 4 -1.357 0.601 5.848 25 HG23 ILE 4 HG23 ILE 4 -2.651 0.141 6.982 26 HD11 ILE 4 HD11 ILE 4 -2.077 0.463 1.652 27 HD12 ILE 4 HD12 ILE 4 -3.722 0.711 2.294 28 HD13 ILE 4 HD13 ILE 4 -2.347 1.637 2.955 29 H SER 5 H SER 5 -6.025 1.056 5.226 30 HA SER 5 HA SER 5 -7.867 0.375 3.108 31 HB2 SER 5 HB2 SER 5 -7.262 2.930 4.627 32 HB3 SER 5 HB3 SER 5 -8.440 2.857 3.301 33 HG SER 5 HG SER 5 -8.896 2.249 5.776 34 H CYS 6 H CYS 6 -7.409 0.335 1.050 35 HA CYS 6 HA CYS 6 -5.234 1.801 -0.255 36 HB2 CYS 6 HB2 CYS 6 -6.901 -0.367 -0.916 37 HB3 CYS 6 HB3 CYS 6 -7.426 0.925 -1.983 38 H VAL 7 H VAL 7 -8.690 2.265 0.264 39 HA VAL 7 HA VAL 7 -9.196 4.564 -1.320 40 HB VAL 7 HB VAL 7 -11.170 4.833 0.188 41 HG11 VAL 7 HG11 VAL 7 -10.634 2.018 -0.809 42 HG12 VAL 7 HG12 VAL 7 -12.221 2.719 -0.447 43 HG13 VAL 7 HG13 VAL 7 -11.244 3.380 -1.767 44 HG21 VAL 7 HG21 VAL 7 -10.180 4.037 2.335 45 HG22 VAL 7 HG22 VAL 7 -11.660 3.195 1.892 46 HG23 VAL 7 HG23 VAL 7 -10.110 2.380 1.668 47 H GLY 8 H GLY 8 -7.160 4.535 1.307 48 HA2 GLY 8 HA2 GLY 8 -7.899 6.627 3.022 49 HA3 GLY 8 HA3 GLY 8 -6.250 6.119 2.596 50 H SER 9 H SER 9 -5.055 7.111 1.038 51 HA SER 9 HA SER 9 -6.168 9.397 -0.454 52 HB2 SER 9 HB2 SER 9 -4.118 9.682 1.731 53 HB3 SER 9 HB3 SER 9 -4.121 10.799 0.338 54 HG SER 9 HG SER 9 -5.916 10.456 2.452 55 HA PRO 10 HA PRO 10 -2.236 7.802 -2.625 56 HB2 PRO 10 HB2 PRO 10 -0.259 6.516 -1.343 57 HB3 PRO 10 HB3 PRO 10 -0.381 8.304 -1.201 58 HG2 PRO 10 HG2 PRO 10 -1.474 6.195 0.682 59 HG3 PRO 10 HG3 PRO 10 -0.403 7.556 1.130 60 HD2 PRO 10 HD2 PRO 10 -3.138 7.661 1.367 61 HD3 PRO 10 HD3 PRO 10 -2.177 9.105 0.860 62 H GLU 11 H GLU 11 -1.589 5.495 -3.359 63 HA GLU 11 HA GLU 11 -3.812 3.698 -2.874 64 HB2 GLU 11 HB2 GLU 11 -1.295 3.140 -4.503 65 HB3 GLU 11 HB3 GLU 11 -2.786 2.234 -4.502 66 HG2 GLU 11 HG2 GLU 11 -2.641 3.580 -6.491 67 HG3 GLU 11 HG3 GLU 11 -3.982 4.109 -5.481 68 H CYS 12 H CYS 12 -0.328 2.840 -2.734 69 HA CYS 12 HA CYS 12 -0.927 1.077 -0.389 70 HB2 CYS 12 HB2 CYS 12 -0.205 0.272 -3.181 71 HB3 CYS 12 HB3 CYS 12 0.418 -0.666 -1.818 72 HA PRO 13 HA PRO 13 3.714 0.493 -0.530 73 HB2 PRO 13 HB2 PRO 13 5.255 2.237 -2.171 74 HB3 PRO 13 HB3 PRO 13 4.927 0.496 -2.385 75 HG2 PRO 13 HG2 PRO 13 3.615 2.850 -3.680 76 HG3 PRO 13 HG3 PRO 13 3.871 1.197 -4.316 77 HD2 PRO 13 HD2 PRO 13 1.449 2.075 -3.416 78 HD3 PRO 13 HD3 PRO 13 1.989 0.386 -3.279 79 HA PRO 14 HA PRO 14 4.963 4.732 1.161 80 HB2 PRO 14 HB2 PRO 14 3.528 7.006 0.793 81 HB3 PRO 14 HB3 PRO 14 4.678 6.391 -0.439 82 HG2 PRO 14 HG2 PRO 14 1.680 5.944 -0.319 83 HG3 PRO 14 HG3 PRO 14 2.637 6.568 -1.706 84 HD2 PRO 14 HD2 PRO 14 1.959 3.945 -1.508 85 HD3 PRO 14 HD3 PRO 14 3.570 4.443 -2.127 86 H LYS 15 H LYS 15 1.690 3.566 1.274 87 HA LYS 15 HA LYS 15 1.167 4.788 3.939 88 HB2 LYS 15 HB2 LYS 15 -0.544 4.747 2.027 89 HB3 LYS 15 HB3 LYS 15 -0.750 3.029 2.403 90 HG2 LYS 15 HG2 LYS 15 -1.193 3.804 4.836 91 HG3 LYS 15 HG3 LYS 15 -1.167 5.444 4.209 92 HD2 LYS 15 HD2 LYS 15 -3.303 3.348 3.846 93 HD3 LYS 15 HD3 LYS 15 -3.386 4.957 4.505 94 HE2 LYS 15 HE2 LYS 15 -4.366 5.353 2.512 95 HE3 LYS 15 HE3 LYS 15 -2.704 5.759 2.107 96 HZ1 LYS 15 HZ1 LYS 15 -4.123 3.218 1.520 97 HZ2 LYS 15 HZ2 LYS 15 -3.683 4.326 0.408 98 HZ3 LYS 15 HZ3 LYS 15 -2.533 3.450 1.136 99 H CYS 16 H CYS 16 1.887 1.658 2.453 100 HA CYS 16 HA CYS 16 0.952 -0.088 4.381 101 HB2 CYS 16 HB2 CYS 16 3.286 -0.275 2.465 102 HB3 CYS 16 HB3 CYS 16 2.806 -1.632 3.487 103 H ARG 17 H ARG 17 4.019 1.724 4.694 104 HA ARG 17 HA ARG 17 3.971 1.112 7.547 105 HB2 ARG 17 HB2 ARG 17 6.205 0.379 7.771 106 HB3 ARG 17 HB3 ARG 17 5.404 -0.707 6.613 107 HG2 ARG 17 HG2 ARG 17 6.467 0.569 4.741 108 HG3 ARG 17 HG3 ARG 17 7.340 1.548 5.934 109 HD2 ARG 17 HD2 ARG 17 7.605 -1.449 5.600 110 HD3 ARG 17 HD3 ARG 17 8.722 -0.214 4.987 111 HE ARG 17 HE ARG 17 8.242 0.006 7.844 112 HH11 ARG 17 HH21 ARG 17 10.508 -1.392 5.525 113 HH12 ARG 17 HH22 ARG 17 11.471 -2.064 6.841 114 HH21 ARG 17 HH11 ARG 17 9.540 -0.909 9.377 115 HH22 ARG 17 HH12 ARG 17 11.028 -1.700 8.865 116 H ALA 18 H ALA 18 5.635 2.419 8.723 117 HA ALA 18 HA ALA 18 5.066 5.088 8.228 118 HB1 ALA 18 HB1 ALA 18 7.245 3.824 9.932 119 HB2 ALA 18 HB2 ALA 18 6.657 5.494 10.110 120 HB3 ALA 18 HB3 ALA 18 5.573 4.118 10.414 121 H GLN 19 H GLN 19 8.095 3.399 7.372 122 HA GLN 19 HA GLN 19 9.030 5.805 5.879 123 HB2 GLN 19 HB2 GLN 19 11.206 4.807 5.831 124 HB3 GLN 19 HB3 GLN 19 10.579 4.843 7.476 125 HG2 GLN 19 HG2 GLN 19 9.939 2.390 7.194 126 HG3 GLN 19 HG3 GLN 19 10.777 2.413 5.642 127 HE21 GLN 19 HE22 GLN 19 11.256 2.867 9.209 128 HE22 GLN 19 HE21 GLN 19 12.971 2.510 9.126 129 H GLY 20 H GLY 20 6.909 3.689 5.104 130 HA2 GLY 20 HA2 GLY 20 6.017 2.777 3.286 131 HA3 GLY 20 HA3 GLY 20 7.035 3.821 2.313 132 H CYS 21 H CYS 21 6.261 1.655 1.248 133 HA CYS 21 HA CYS 21 8.324 -0.492 1.431 134 HB2 CYS 21 HB2 CYS 21 5.310 -0.503 1.142 135 HB3 CYS 21 HB3 CYS 21 6.244 -1.835 0.509 136 H LYS 22 H LYS 22 8.629 -1.781 -0.462 137 HA LYS 22 HA LYS 22 9.374 -0.299 -2.698 138 HB2 LYS 22 HB2 LYS 22 8.983 -3.316 -2.543 139 HB3 LYS 22 HB3 LYS 22 9.985 -2.442 -3.709 140 HG2 LYS 22 HG2 LYS 22 11.381 -1.603 -1.756 141 HG3 LYS 22 HG3 LYS 22 10.447 -2.685 -0.699 142 HD2 LYS 22 HD2 LYS 22 11.159 -4.613 -2.191 143 HD3 LYS 22 HD3 LYS 22 12.165 -3.476 -3.078 144 HE2 LYS 22 HE2 LYS 22 13.670 -4.495 -1.643 145 HE3 LYS 22 HE3 LYS 22 13.339 -2.953 -0.847 146 HZ1 LYS 22 HZ1 LYS 22 11.893 -4.135 0.702 147 HZ2 LYS 22 HZ2 LYS 22 12.040 -5.534 -0.146 148 HZ3 LYS 22 HZ3 LYS 22 13.337 -4.929 0.651 149 H ASN 23 H ASN 23 6.491 -2.441 -2.531 150 HA ASN 23 HA ASN 23 5.205 -1.022 -4.761 151 HB2 ASN 23 HB2 ASN 23 6.698 -2.829 -5.811 152 HB3 ASN 23 HB3 ASN 23 5.692 -4.015 -4.945 153 HD21 ASN 23 HD22 ASN 23 5.456 -1.364 -7.381 154 HD22 ASN 23 HD21 ASN 23 4.082 -2.124 -8.177 155 H GLY 24 H GLY 24 3.012 -1.694 -5.076 156 HA2 GLY 24 HA2 GLY 24 1.695 -3.730 -3.639 157 HA3 GLY 24 HA3 GLY 24 1.480 -2.254 -2.708 158 H LYS 25 H LYS 25 -0.615 -3.772 -3.823 159 HA LYS 25 HA LYS 25 -1.891 -1.864 -5.736 160 HB2 LYS 25 HB2 LYS 25 -1.341 -4.798 -6.185 161 HB3 LYS 25 HB3 LYS 25 -2.894 -4.148 -6.725 162 HG2 LYS 25 HG2 LYS 25 -1.711 -2.400 -8.034 163 HG3 LYS 25 HG3 LYS 25 -0.156 -3.144 -7.607 164 HD2 LYS 25 HD2 LYS 25 -0.818 -5.243 -8.699 165 HD3 LYS 25 HD3 LYS 25 -2.436 -4.618 -9.017 166 HE2 LYS 25 HE2 LYS 25 0.150 -3.561 -10.247 167 HE3 LYS 25 HE3 LYS 25 -1.031 -4.616 -11.028 168 HZ1 LYS 25 HZ1 LYS 25 -1.432 -1.817 -10.216 169 HZ2 LYS 25 HZ2 LYS 25 -1.503 -2.438 -11.726 170 HZ3 LYS 25 HZ3 LYS 25 -2.696 -2.799 -10.637 171 H CYS 26 H CYS 26 -4.184 -1.830 -5.678 172 HA CYS 26 HA CYS 26 -5.363 -2.602 -3.121 173 HB2 CYS 26 HB2 CYS 26 -6.773 -1.629 -5.614 174 HB3 CYS 26 HB3 CYS 26 -7.395 -1.649 -3.972 175 H MET 27 H MET 27 -6.988 -4.168 -2.743 176 HA MET 27 HA MET 27 -7.376 -6.265 -4.888 177 HB2 MET 27 HB2 MET 27 -7.581 -6.542 -1.861 178 HB3 MET 27 HB3 MET 27 -7.951 -7.797 -3.050 179 HG2 MET 27 HG2 MET 27 -5.579 -7.631 -3.875 180 HG3 MET 27 HG3 MET 27 -5.228 -6.568 -2.507 181 HE1 MET 27 HE1 MET 27 -5.217 -7.341 0.038 182 HE2 MET 27 HE2 MET 27 -6.917 -7.855 -0.078 183 HE3 MET 27 HE3 MET 27 -5.702 -8.962 0.578 184 H ASN 28 H ASN 28 -8.784 -4.118 -2.600 185 HA ASN 28 HA ASN 28 -11.258 -3.786 -3.964 186 HB2 ASN 28 HB2 ASN 28 -12.710 -4.431 -1.986 187 HB3 ASN 28 HB3 ASN 28 -11.982 -5.773 -2.821 188 HD21 ASN 28 HD22 ASN 28 -11.288 -7.359 -1.426 189 HD22 ASN 28 HD21 ASN 28 -10.530 -7.027 0.132 190 H ARG 29 H ARG 29 -12.125 -2.673 -1.096 191 HA ARG 29 HA ARG 29 -10.690 -0.153 -1.183 192 HB2 ARG 29 HB2 ARG 29 -11.691 0.294 1.031 193 HB3 ARG 29 HB3 ARG 29 -12.853 -0.134 -0.204 194 HG2 ARG 29 HG2 ARG 29 -13.148 -2.369 0.735 195 HG3 ARG 29 HG3 ARG 29 -11.762 -2.150 1.822 196 HD2 ARG 29 HD2 ARG 29 -12.901 -0.374 3.021 197 HD3 ARG 29 HD3 ARG 29 -14.277 -0.453 1.913 198 HE ARG 29 HE ARG 29 -15.014 -2.475 2.874 199 HH11 ARG 29 HH11 ARG 29 -12.045 -1.430 4.544 200 HH12 ARG 29 HH12 ARG 29 -12.401 -2.510 5.877 201 HH21 ARG 29 HH21 ARG 29 -15.070 -4.040 4.431 202 HH22 ARG 29 HH22 ARG 29 -13.996 -3.912 5.818 203 H LYS 30 H LYS 30 -9.818 -3.202 0.209 204 HA LYS 30 HA LYS 30 -7.609 -2.038 1.837 205 HB2 LYS 30 HB2 LYS 30 -8.560 -4.903 1.424 206 HB3 LYS 30 HB3 LYS 30 -7.135 -4.440 2.363 207 HG2 LYS 30 HG2 LYS 30 -8.592 -2.989 3.806 208 HG3 LYS 30 HG3 LYS 30 -10.008 -3.630 2.957 209 HD2 LYS 30 HD2 LYS 30 -9.277 -5.964 3.652 210 HD3 LYS 30 HD3 LYS 30 -7.947 -5.218 4.558 211 HE2 LYS 30 HE2 LYS 30 -9.468 -5.359 6.261 212 HE3 LYS 30 HE3 LYS 30 -9.879 -3.763 5.620 213 HZ1 LYS 30 HZ1 LYS 30 -11.279 -6.335 5.061 214 HZ2 LYS 30 HZ2 LYS 30 -11.895 -5.065 5.887 215 HZ3 LYS 30 HZ3 LYS 30 -11.627 -4.974 4.253 216 H CYS 31 H CYS 31 -5.552 -2.592 1.630 217 HA CYS 31 HA CYS 31 -4.540 -2.828 -1.174 218 HB2 CYS 31 HB2 CYS 31 -3.993 -0.790 0.089 219 HB3 CYS 31 HB3 CYS 31 -3.495 -1.790 1.431 220 H LYS 32 H LYS 32 -2.757 -4.119 -1.679 221 HA LYS 32 HA LYS 32 -1.710 -6.051 0.334 222 HB2 LYS 32 HB2 LYS 32 -3.058 -7.298 -1.219 223 HB3 LYS 32 HB3 LYS 32 -2.313 -6.500 -2.611 224 HG2 LYS 32 HG2 LYS 32 -0.171 -7.564 -2.151 225 HG3 LYS 32 HG3 LYS 32 -0.786 -8.285 -0.660 226 HD2 LYS 32 HD2 LYS 32 -2.040 -8.859 -3.380 227 HD3 LYS 32 HD3 LYS 32 -0.641 -9.752 -2.770 228 HE2 LYS 32 HE2 LYS 32 -1.861 -10.483 -0.795 229 HE3 LYS 32 HE3 LYS 32 -3.279 -9.561 -1.268 230 HZ1 LYS 32 HZ1 LYS 32 -3.385 -11.942 -1.865 231 HZ2 LYS 32 HZ2 LYS 32 -3.499 -10.997 -3.229 232 HZ3 LYS 32 HZ3 LYS 32 -2.088 -11.770 -2.844 233 H CYS 33 H CYS 33 0.398 -5.803 0.708 234 HA CYS 33 HA CYS 33 2.109 -4.339 -1.280 235 HB2 CYS 33 HB2 CYS 33 1.892 -4.028 1.685 236 HB3 CYS 33 HB3 CYS 33 3.496 -3.951 0.970 237 H TYR 34 H TYR 34 3.707 -5.431 -2.130 238 HA TYR 34 HA TYR 34 3.869 -8.263 -1.457 239 HB2 TYR 34 HB2 TYR 34 5.058 -6.739 -3.792 240 HB3 TYR 34 HB3 TYR 34 4.929 -8.483 -3.640 241 HD1 TYR 34 HD2 TYR 34 2.660 -9.581 -3.649 242 HD2 TYR 34 HD1 TYR 34 3.207 -5.398 -4.573 243 HE1 TYR 34 HE2 TYR 34 0.459 -9.530 -4.821 244 HE2 TYR 34 HE1 TYR 34 1.030 -5.350 -5.707 245 HH TYR 34 HH TYR 34 -0.809 -6.611 -6.383 246 H TYR 35 H TYR 35 6.561 -6.146 -2.480 247 HA TYR 35 HA TYR 35 8.453 -8.009 -1.269 248 HB2 TYR 35 HB2 TYR 35 8.915 -5.638 -3.093 249 HB3 TYR 35 HB3 TYR 35 10.091 -6.882 -2.667 250 HD1 TYR 35 HD2 TYR 35 9.303 -9.372 -3.057 251 HD2 TYR 35 HD1 TYR 35 7.703 -5.956 -5.144 252 HE1 TYR 35 HE2 TYR 35 8.368 -10.879 -4.808 253 HE2 TYR 35 HE1 TYR 35 6.770 -7.466 -6.890 254 HH TYR 35 HH TYR 35 6.580 -9.645 -7.636 255 H CYS 36 H CYS 36 7.051 -6.536 0.679 256 HA CYS 36 HA CYS 36 9.164 -5.604 2.398 257 HB2 CYS 36 HB2 CYS 36 9.062 -3.630 1.058 258 HB3 CYS 36 HB3 CYS 36 7.303 -3.666 1.003 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 5.116 -3.733 7.152 2 H2 ALA 1 H2 ALA 1 4.634 -5.294 7.167 3 H3 ALA 1 H3 ALA 1 4.160 -4.285 8.371 4 HA ALA 1 HA ALA 1 2.920 -2.948 6.798 5 HB1 ALA 1 HB1 ALA 1 3.621 -5.181 4.830 6 HB2 ALA 1 HB2 ALA 1 2.597 -3.775 4.508 7 HB3 ALA 1 HB3 ALA 1 4.325 -3.550 4.815 8 H ALA 2 H ALA 2 0.639 -3.656 5.926 9 HA ALA 2 HA ALA 2 -0.352 -6.235 6.832 10 HB1 ALA 2 HB1 ALA 2 -2.031 -5.170 8.348 11 HB2 ALA 2 HB2 ALA 2 -0.377 -4.927 8.937 12 HB3 ALA 2 HB3 ALA 2 -1.233 -3.597 8.114 13 H ALA 3 H ALA 3 -2.895 -6.177 6.352 14 HA ALA 3 HA ALA 3 -3.267 -4.879 3.728 15 HB1 ALA 3 HB1 ALA 3 -5.414 -5.967 3.709 16 HB2 ALA 3 HB2 ALA 3 -4.084 -7.121 4.007 17 HB3 ALA 3 HB3 ALA 3 -5.131 -6.598 5.361 18 H ILE 4 H ILE 4 -3.719 -2.868 3.657 19 HA ILE 4 HA ILE 4 -4.957 -1.347 5.846 20 HB ILE 4 HB ILE 4 -3.894 0.540 4.543 21 HG12 ILE 4 HG12 ILE 4 -2.464 -1.641 2.955 22 HG13 ILE 4 HG13 ILE 4 -3.928 -0.887 2.327 23 HG21 ILE 4 HG21 ILE 4 -1.585 -0.072 5.251 24 HG22 ILE 4 HG22 ILE 4 -2.789 -0.547 6.459 25 HG23 ILE 4 HG23 ILE 4 -2.088 -1.772 5.393 26 HD11 ILE 4 HD11 ILE 4 -1.834 0.035 1.425 27 HD12 ILE 4 HD12 ILE 4 -2.900 1.249 2.154 28 HD13 ILE 4 HD13 ILE 4 -1.452 0.666 3.036 29 H SER 5 H SER 5 -6.248 0.554 5.242 30 HA SER 5 HA SER 5 -8.385 0.018 3.317 31 HB2 SER 5 HB2 SER 5 -7.605 2.564 4.794 32 HB3 SER 5 HB3 SER 5 -9.036 2.358 3.768 33 HG SER 5 HG SER 5 -8.643 1.587 6.361 34 H CYS 6 H CYS 6 -7.939 0.038 1.167 35 HA CYS 6 HA CYS 6 -5.648 1.292 -0.011 36 HB2 CYS 6 HB2 CYS 6 -6.766 -0.562 -1.049 37 HB3 CYS 6 HB3 CYS 6 -8.260 0.373 -1.225 38 H VAL 7 H VAL 7 -9.082 2.518 0.135 39 HA VAL 7 HA VAL 7 -8.501 4.750 -1.543 40 HB VAL 7 HB VAL 7 -10.574 5.704 -0.944 41 HG11 VAL 7 HG11 VAL 7 -10.547 3.688 -2.400 42 HG12 VAL 7 HG12 VAL 7 -10.957 2.696 -0.985 43 HG13 VAL 7 HG13 VAL 7 -12.077 3.948 -1.548 44 HG21 VAL 7 HG21 VAL 7 -10.775 5.614 1.425 45 HG22 VAL 7 HG22 VAL 7 -12.103 4.660 0.766 46 HG23 VAL 7 HG23 VAL 7 -10.688 3.842 1.439 47 H GLY 8 H GLY 8 -8.388 4.449 1.922 48 HA2 GLY 8 HA2 GLY 8 -7.799 6.054 3.618 49 HA3 GLY 8 HA3 GLY 8 -6.327 5.584 2.753 50 H SER 9 H SER 9 -5.102 6.949 1.863 51 HA SER 9 HA SER 9 -6.143 9.536 0.868 52 HB2 SER 9 HB2 SER 9 -5.316 10.282 2.933 53 HB3 SER 9 HB3 SER 9 -3.870 9.280 2.830 54 HG SER 9 HG SER 9 -3.517 11.531 2.234 55 HA PRO 10 HA PRO 10 -2.562 8.050 -1.913 56 HB2 PRO 10 HB2 PRO 10 -0.613 6.416 -1.104 57 HB3 PRO 10 HB3 PRO 10 -0.597 8.129 -0.549 58 HG2 PRO 10 HG2 PRO 10 -1.788 5.714 0.857 59 HG3 PRO 10 HG3 PRO 10 -0.543 6.798 1.520 60 HD2 PRO 10 HD2 PRO 10 -3.184 7.191 2.052 61 HD3 PRO 10 HD3 PRO 10 -2.104 8.589 1.716 62 H GLU 11 H GLU 11 -2.032 5.775 -3.060 63 HA GLU 11 HA GLU 11 -4.169 3.907 -2.734 64 HB2 GLU 11 HB2 GLU 11 -3.066 4.715 -4.860 65 HB3 GLU 11 HB3 GLU 11 -1.613 3.813 -4.398 66 HG2 GLU 11 HG2 GLU 11 -3.001 1.774 -4.236 67 HG3 GLU 11 HG3 GLU 11 -4.383 2.721 -4.829 68 H CYS 12 H CYS 12 -0.644 3.121 -2.759 69 HA CYS 12 HA CYS 12 -1.215 1.021 -0.694 70 HB2 CYS 12 HB2 CYS 12 -0.461 0.678 -3.546 71 HB3 CYS 12 HB3 CYS 12 0.301 -0.393 -2.378 72 HA PRO 13 HA PRO 13 3.362 0.606 -0.533 73 HB2 PRO 13 HB2 PRO 13 5.119 2.337 -1.898 74 HB3 PRO 13 HB3 PRO 13 4.658 0.671 -2.333 75 HG2 PRO 13 HG2 PRO 13 3.586 3.257 -3.405 76 HG3 PRO 13 HG3 PRO 13 3.819 1.694 -4.246 77 HD2 PRO 13 HD2 PRO 13 1.357 2.563 -3.403 78 HD3 PRO 13 HD3 PRO 13 1.820 0.853 -3.472 79 HA PRO 14 HA PRO 14 4.539 4.701 1.556 80 HB2 PRO 14 HB2 PRO 14 3.072 6.965 1.379 81 HB3 PRO 14 HB3 PRO 14 4.219 6.482 0.088 82 HG2 PRO 14 HG2 PRO 14 1.239 5.959 0.213 83 HG3 PRO 14 HG3 PRO 14 2.148 6.724 -1.130 84 HD2 PRO 14 HD2 PRO 14 1.510 4.076 -1.120 85 HD3 PRO 14 HD3 PRO 14 3.080 4.659 -1.776 86 H LYS 15 H LYS 15 1.394 3.378 1.490 87 HA LYS 15 HA LYS 15 0.815 4.024 4.354 88 HB2 LYS 15 HB2 LYS 15 -0.861 4.576 2.590 89 HB3 LYS 15 HB3 LYS 15 -1.037 2.856 2.238 90 HG2 LYS 15 HG2 LYS 15 -1.703 2.581 4.725 91 HG3 LYS 15 HG3 LYS 15 -1.648 4.330 4.828 92 HD2 LYS 15 HD2 LYS 15 -3.735 2.590 3.609 93 HD3 LYS 15 HD3 LYS 15 -3.864 3.986 4.625 94 HE2 LYS 15 HE2 LYS 15 -4.497 5.097 2.837 95 HE3 LYS 15 HE3 LYS 15 -2.813 5.150 2.376 96 HZ1 LYS 15 HZ1 LYS 15 -4.296 4.305 0.569 97 HZ2 LYS 15 HZ2 LYS 15 -3.233 3.163 0.948 98 HZ3 LYS 15 HZ3 LYS 15 -4.785 3.082 1.524 99 H CYS 16 H CYS 16 1.550 1.369 2.142 100 HA CYS 16 HA CYS 16 1.088 -0.885 3.723 101 HB2 CYS 16 HB2 CYS 16 3.237 -0.118 1.746 102 HB3 CYS 16 HB3 CYS 16 3.356 -1.651 2.604 103 H ARG 17 H ARG 17 3.770 1.470 4.094 104 HA ARG 17 HA ARG 17 3.999 0.739 6.885 105 HB2 ARG 17 HB2 ARG 17 6.314 0.231 6.949 106 HB3 ARG 17 HB3 ARG 17 5.561 -0.889 5.801 107 HG2 ARG 17 HG2 ARG 17 6.336 0.668 3.936 108 HG3 ARG 17 HG3 ARG 17 7.240 1.573 5.161 109 HD2 ARG 17 HD2 ARG 17 7.667 -1.281 4.295 110 HD3 ARG 17 HD3 ARG 17 8.739 0.120 4.054 111 HE ARG 17 HE ARG 17 8.218 -0.280 6.858 112 HH11 ARG 17 HH11 ARG 17 10.371 -1.598 4.373 113 HH12 ARG 17 HH12 ARG 17 11.103 -2.671 5.540 114 HH21 ARG 17 HH21 ARG 17 9.292 -1.424 8.207 115 HH22 ARG 17 HH22 ARG 17 10.743 -2.313 7.754 116 H ALA 18 H ALA 18 5.532 2.161 8.019 117 HA ALA 18 HA ALA 18 4.771 4.834 7.633 118 HB1 ALA 18 HB1 ALA 18 6.383 5.229 9.514 119 HB2 ALA 18 HB2 ALA 18 5.328 3.827 9.785 120 HB3 ALA 18 HB3 ALA 18 7.008 3.572 9.279 121 H GLN 19 H GLN 19 7.927 3.361 6.978 122 HA GLN 19 HA GLN 19 9.075 5.752 5.724 123 HB2 GLN 19 HB2 GLN 19 11.076 4.436 5.542 124 HB3 GLN 19 HB3 GLN 19 10.464 4.495 7.189 125 HG2 GLN 19 HG2 GLN 19 9.781 2.147 5.375 126 HG3 GLN 19 HG3 GLN 19 11.342 2.292 6.154 127 HE21 GLN 19 HE22 GLN 19 11.532 1.802 8.418 128 HE22 GLN 19 HE21 GLN 19 10.112 1.362 9.368 129 H GLY 20 H GLY 20 6.853 3.785 4.553 130 HA2 GLY 20 HA2 GLY 20 6.058 3.255 2.539 131 HA3 GLY 20 HA3 GLY 20 7.287 4.254 1.765 132 H CYS 21 H CYS 21 6.002 1.663 1.188 133 HA CYS 21 HA CYS 21 7.926 -0.526 1.534 134 HB2 CYS 21 HB2 CYS 21 5.394 -0.579 1.718 135 HB3 CYS 21 HB3 CYS 21 5.334 -0.310 -0.024 136 H LYS 22 H LYS 22 8.527 -1.881 -0.278 137 HA LYS 22 HA LYS 22 9.877 -0.495 -2.400 138 HB2 LYS 22 HB2 LYS 22 9.249 -3.461 -2.058 139 HB3 LYS 22 HB3 LYS 22 10.398 -2.782 -3.233 140 HG2 LYS 22 HG2 LYS 22 11.710 -1.808 -1.320 141 HG3 LYS 22 HG3 LYS 22 10.553 -2.562 -0.203 142 HD2 LYS 22 HD2 LYS 22 11.158 -4.793 -1.173 143 HD3 LYS 22 HD3 LYS 22 12.419 -4.006 -2.112 144 HE2 LYS 22 HE2 LYS 22 13.392 -4.999 -0.120 145 HE3 LYS 22 HE3 LYS 22 13.505 -3.232 -0.009 146 HZ1 LYS 22 HZ1 LYS 22 11.405 -4.870 1.326 147 HZ2 LYS 22 HZ2 LYS 22 12.758 -4.301 2.076 148 HZ3 LYS 22 HZ3 LYS 22 11.666 -3.239 1.523 149 H ASN 23 H ASN 23 6.949 -2.559 -2.531 150 HA ASN 23 HA ASN 23 5.724 -0.814 -4.489 151 HB2 ASN 23 HB2 ASN 23 7.249 -2.395 -5.845 152 HB3 ASN 23 HB3 ASN 23 6.192 -3.705 -5.324 153 HD21 ASN 23 HD22 ASN 23 6.309 -3.636 -7.899 154 HD22 ASN 23 HD21 ASN 23 4.833 -2.938 -8.557 155 H GLY 24 H GLY 24 3.460 -1.755 -5.077 156 HA2 GLY 24 HA2 GLY 24 2.199 -3.687 -3.391 157 HA3 GLY 24 HA3 GLY 24 1.925 -2.074 -2.708 158 H LYS 25 H LYS 25 0.078 -4.077 -3.896 159 HA LYS 25 HA LYS 25 -1.161 -2.532 -6.135 160 HB2 LYS 25 HB2 LYS 25 -0.038 -4.452 -7.046 161 HB3 LYS 25 HB3 LYS 25 -0.744 -5.520 -5.799 162 HG2 LYS 25 HG2 LYS 25 -2.896 -5.360 -6.711 163 HG3 LYS 25 HG3 LYS 25 -2.459 -4.026 -7.789 164 HD2 LYS 25 HD2 LYS 25 -1.027 -5.560 -9.106 165 HD3 LYS 25 HD3 LYS 25 -1.456 -6.904 -8.010 166 HE2 LYS 25 HE2 LYS 25 -3.853 -6.607 -8.601 167 HE3 LYS 25 HE3 LYS 25 -3.437 -5.277 -9.689 168 HZ1 LYS 25 HZ1 LYS 25 -2.520 -8.087 -10.061 169 HZ2 LYS 25 HZ2 LYS 25 -3.772 -7.407 -10.841 170 HZ3 LYS 25 HZ3 LYS 25 -2.266 -6.845 -11.116 171 H CYS 26 H CYS 26 -3.279 -2.080 -5.992 172 HA CYS 26 HA CYS 26 -4.726 -2.854 -3.535 173 HB2 CYS 26 HB2 CYS 26 -4.464 -0.533 -3.851 174 HB3 CYS 26 HB3 CYS 26 -4.967 -0.610 -5.531 175 H MET 27 H MET 27 -6.747 -3.672 -3.409 176 HA MET 27 HA MET 27 -8.285 -4.355 -5.850 177 HB2 MET 27 HB2 MET 27 -8.796 -6.583 -4.932 178 HB3 MET 27 HB3 MET 27 -7.122 -6.388 -5.435 179 HG2 MET 27 HG2 MET 27 -8.035 -6.269 -2.534 180 HG3 MET 27 HG3 MET 27 -7.491 -7.718 -3.356 181 HE1 MET 27 HE1 MET 27 -5.908 -8.265 -1.489 182 HE2 MET 27 HE2 MET 27 -4.600 -7.232 -0.885 183 HE3 MET 27 HE3 MET 27 -6.297 -6.798 -0.573 184 H ASN 28 H ASN 28 -10.076 -3.255 -5.666 185 HA ASN 28 HA ASN 28 -11.697 -2.024 -5.040 186 HB2 ASN 28 HB2 ASN 28 -12.667 -4.308 -4.922 187 HB3 ASN 28 HB3 ASN 28 -12.482 -4.278 -3.175 188 HD21 ASN 28 HD22 ASN 28 -14.985 -4.656 -3.660 189 HD22 ASN 28 HD21 ASN 28 -15.897 -3.158 -3.518 190 H ARG 29 H ARG 29 -10.984 -3.266 -1.755 191 HA ARG 29 HA ARG 29 -10.685 -0.422 -0.869 192 HB2 ARG 29 HB2 ARG 29 -11.875 -2.711 0.756 193 HB3 ARG 29 HB3 ARG 29 -11.819 -1.018 1.242 194 HG2 ARG 29 HG2 ARG 29 -13.313 -2.108 -1.135 195 HG3 ARG 29 HG3 ARG 29 -13.996 -1.856 0.477 196 HD2 ARG 29 HD2 ARG 29 -14.411 0.327 0.061 197 HD3 ARG 29 HD3 ARG 29 -12.728 0.614 -0.395 198 HE ARG 29 HE ARG 29 -14.017 -0.703 -2.553 199 HH11 ARG 29 HH21 ARG 29 -14.350 2.481 -1.109 200 HH12 ARG 29 HH22 ARG 29 -14.480 3.236 -2.681 201 HH21 ARG 29 HH11 ARG 29 -14.313 0.220 -4.369 202 HH22 ARG 29 HH12 ARG 29 -14.492 1.966 -4.536 203 H LYS 30 H LYS 30 -9.019 -3.265 -1.198 204 HA LYS 30 HA LYS 30 -7.340 -2.795 1.236 205 HB2 LYS 30 HB2 LYS 30 -8.254 -5.442 0.052 206 HB3 LYS 30 HB3 LYS 30 -7.146 -5.255 1.416 207 HG2 LYS 30 HG2 LYS 30 -10.082 -4.336 1.391 208 HG3 LYS 30 HG3 LYS 30 -9.443 -5.808 2.126 209 HD2 LYS 30 HD2 LYS 30 -7.937 -4.337 3.588 210 HD3 LYS 30 HD3 LYS 30 -8.850 -2.951 2.976 211 HE2 LYS 30 HE2 LYS 30 -10.979 -4.159 3.722 212 HE3 LYS 30 HE3 LYS 30 -9.912 -5.331 4.535 213 HZ1 LYS 30 HZ1 LYS 30 -10.163 -2.436 5.143 214 HZ2 LYS 30 HZ2 LYS 30 -10.565 -3.735 6.109 215 HZ3 LYS 30 HZ3 LYS 30 -8.998 -3.359 5.784 216 H CYS 31 H CYS 31 -5.198 -4.034 1.037 217 HA CYS 31 HA CYS 31 -4.063 -3.694 -1.700 218 HB2 CYS 31 HB2 CYS 31 -3.819 -1.537 -0.458 219 HB3 CYS 31 HB3 CYS 31 -2.982 -2.424 0.827 220 H LYS 32 H LYS 32 -2.592 -5.166 -2.248 221 HA LYS 32 HA LYS 32 -1.384 -6.975 -0.258 222 HB2 LYS 32 HB2 LYS 32 -2.596 -7.939 -2.244 223 HB3 LYS 32 HB3 LYS 32 -1.516 -7.037 -3.310 224 HG2 LYS 32 HG2 LYS 32 -0.682 -9.268 -3.214 225 HG3 LYS 32 HG3 LYS 32 0.429 -8.273 -2.275 226 HD2 LYS 32 HD2 LYS 32 -0.968 -9.042 -0.183 227 HD3 LYS 32 HD3 LYS 32 -1.664 -10.250 -1.276 228 HE2 LYS 32 HE2 LYS 32 0.630 -10.998 -1.850 229 HE3 LYS 32 HE3 LYS 32 1.279 -9.732 -0.779 230 HZ1 LYS 32 HZ1 LYS 32 0.215 -10.844 1.096 231 HZ2 LYS 32 HZ2 LYS 32 -0.418 -12.017 0.140 232 HZ3 LYS 32 HZ3 LYS 32 1.208 -11.906 0.347 233 H CYS 33 H CYS 33 0.364 -6.100 0.598 234 HA CYS 33 HA CYS 33 2.135 -4.252 -0.868 235 HB2 CYS 33 HB2 CYS 33 2.414 -5.542 1.857 236 HB3 CYS 33 HB3 CYS 33 3.391 -4.214 1.235 237 H TYR 34 H TYR 34 4.219 -4.854 -1.675 238 HA TYR 34 HA TYR 34 4.192 -7.682 -2.493 239 HB2 TYR 34 HB2 TYR 34 5.578 -5.230 -3.534 240 HB3 TYR 34 HB3 TYR 34 6.080 -6.836 -4.001 241 HD1 TYR 34 HD2 TYR 34 2.383 -6.581 -3.570 242 HD2 TYR 34 HD1 TYR 34 5.713 -6.028 -6.286 243 HE1 TYR 34 HE2 TYR 34 0.906 -6.956 -5.477 244 HE2 TYR 34 HE1 TYR 34 4.162 -6.270 -8.207 245 HH TYR 34 HH TYR 34 1.990 -6.657 -8.875 246 H TYR 35 H TYR 35 7.043 -5.696 -1.624 247 HA TYR 35 HA TYR 35 8.245 -8.157 -0.418 248 HB2 TYR 35 HB2 TYR 35 9.590 -6.209 -2.295 249 HB3 TYR 35 HB3 TYR 35 10.316 -7.645 -1.576 250 HD1 TYR 35 HD1 TYR 35 8.798 -9.911 -2.003 251 HD2 TYR 35 HD2 TYR 35 8.997 -6.426 -4.532 252 HE1 TYR 35 HE1 TYR 35 8.061 -11.276 -3.957 253 HE2 TYR 35 HE2 TYR 35 8.249 -7.784 -6.475 254 HH TYR 35 HH TYR 35 7.689 -9.882 -7.232 255 H CYS 36 H CYS 36 7.077 -6.031 1.195 256 HA CYS 36 HA CYS 36 9.511 -5.214 2.685 257 HB2 CYS 36 HB2 CYS 36 8.634 -3.103 2.987 258 HB3 CYS 36 HB3 CYS 36 8.489 -3.414 1.272 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 1.328 -8.891 3.461 2 H2 ALA 1 H2 ALA 1 1.988 -8.872 4.947 3 H3 ALA 1 H3 ALA 1 2.127 -7.546 3.983 4 HA ALA 1 HA ALA 1 -0.381 -8.626 5.087 5 HB1 ALA 1 HB1 ALA 1 -0.447 -6.631 6.521 6 HB2 ALA 1 HB2 ALA 1 1.003 -7.599 6.824 7 HB3 ALA 1 HB3 ALA 1 1.121 -6.105 5.873 8 H ALA 2 H ALA 2 -2.219 -6.976 4.921 9 HA ALA 2 HA ALA 2 -2.096 -5.088 2.710 10 HB1 ALA 2 HB1 ALA 2 -2.764 -7.267 1.646 11 HB2 ALA 2 HB2 ALA 2 -4.127 -7.369 2.774 12 HB3 ALA 2 HB3 ALA 2 -4.064 -6.059 1.577 13 H ALA 3 H ALA 3 -2.238 -4.845 5.521 14 HA ALA 3 HA ALA 3 -4.898 -4.782 6.607 15 HB1 ALA 3 HB1 ALA 3 -2.891 -5.596 7.754 16 HB2 ALA 3 HB2 ALA 3 -2.173 -3.968 7.651 17 HB3 ALA 3 HB3 ALA 3 -3.620 -4.239 8.647 18 H ILE 4 H ILE 4 -4.631 -2.741 4.497 19 HA ILE 4 HA ILE 4 -5.407 -0.356 6.057 20 HB ILE 4 HB ILE 4 -3.938 1.057 4.482 21 HG12 ILE 4 HG12 ILE 4 -2.324 -1.539 4.345 22 HG13 ILE 4 HG13 ILE 4 -3.119 -0.691 3.012 23 HG21 ILE 4 HG21 ILE 4 -2.496 -0.397 6.724 24 HG22 ILE 4 HG22 ILE 4 -2.221 1.257 6.127 25 HG23 ILE 4 HG23 ILE 4 -3.717 0.872 6.973 26 HD11 ILE 4 HD11 ILE 4 -0.698 0.139 4.624 27 HD12 ILE 4 HD12 ILE 4 -0.868 -0.022 2.862 28 HD13 ILE 4 HD13 ILE 4 -1.654 1.330 3.733 29 H SER 5 H SER 5 -6.508 1.205 4.951 30 HA SER 5 HA SER 5 -8.330 0.272 3.047 31 HB2 SER 5 HB2 SER 5 -7.617 3.108 3.844 32 HB3 SER 5 HB3 SER 5 -9.057 2.633 2.910 33 HG SER 5 HG SER 5 -9.500 2.762 5.171 34 H CYS 6 H CYS 6 -8.192 -0.093 1.047 35 HA CYS 6 HA CYS 6 -6.278 0.423 -0.934 36 HB2 CYS 6 HB2 CYS 6 -8.191 -1.048 -1.191 37 HB3 CYS 6 HB3 CYS 6 -9.306 0.320 -1.072 38 H VAL 7 H VAL 7 -9.093 2.483 -0.067 39 HA VAL 7 HA VAL 7 -8.207 4.703 -1.725 40 HB VAL 7 HB VAL 7 -10.548 4.338 -1.139 41 HG11 VAL 7 HG11 VAL 7 -10.081 5.572 1.594 42 HG12 VAL 7 HG12 VAL 7 -11.561 4.908 0.895 43 HG13 VAL 7 HG13 VAL 7 -10.260 3.816 1.352 44 HG21 VAL 7 HG21 VAL 7 -9.444 7.032 -0.262 45 HG22 VAL 7 HG22 VAL 7 -9.725 6.507 -1.937 46 HG23 VAL 7 HG23 VAL 7 -11.093 6.699 -0.833 47 H GLY 8 H GLY 8 -8.321 4.481 1.865 48 HA2 GLY 8 HA2 GLY 8 -6.798 5.194 3.481 49 HA3 GLY 8 HA3 GLY 8 -5.550 4.993 2.249 50 H SER 9 H SER 9 -4.302 6.627 2.487 51 HA SER 9 HA SER 9 -5.447 9.371 2.014 52 HB2 SER 9 HB2 SER 9 -4.633 9.417 4.160 53 HB3 SER 9 HB3 SER 9 -3.246 8.407 3.795 54 HG SER 9 HG SER 9 -2.732 10.628 4.086 55 HA PRO 10 HA PRO 10 -2.052 8.917 -1.272 56 HB2 PRO 10 HB2 PRO 10 0.046 7.269 -1.037 57 HB3 PRO 10 HB3 PRO 10 -0.056 8.757 -0.048 58 HG2 PRO 10 HG2 PRO 10 -0.921 5.955 0.795 59 HG3 PRO 10 HG3 PRO 10 0.229 7.046 1.647 60 HD2 PRO 10 HD2 PRO 10 -2.428 6.841 2.232 61 HD3 PRO 10 HD3 PRO 10 -1.522 8.392 2.364 62 H GLU 11 H GLU 11 -1.027 6.792 -2.842 63 HA GLU 11 HA GLU 11 -3.473 5.378 -3.470 64 HB2 GLU 11 HB2 GLU 11 -0.826 5.005 -4.860 65 HB3 GLU 11 HB3 GLU 11 -2.408 4.548 -5.416 66 HG2 GLU 11 HG2 GLU 11 -1.486 7.409 -4.945 67 HG3 GLU 11 HG3 GLU 11 -1.573 6.598 -6.500 68 H CYS 12 H CYS 12 -0.189 3.811 -2.970 69 HA CYS 12 HA CYS 12 -1.518 1.929 -1.170 70 HB2 CYS 12 HB2 CYS 12 -2.096 1.197 -3.566 71 HB3 CYS 12 HB3 CYS 12 -0.463 0.592 -3.658 72 HA PRO 13 HA PRO 13 2.940 0.369 -1.026 73 HB2 PRO 13 HB2 PRO 13 4.972 1.778 -2.330 74 HB3 PRO 13 HB3 PRO 13 4.188 0.276 -2.884 75 HG2 PRO 13 HG2 PRO 13 3.652 3.107 -3.740 76 HG3 PRO 13 HG3 PRO 13 3.643 1.610 -4.715 77 HD2 PRO 13 HD2 PRO 13 1.347 2.814 -3.826 78 HD3 PRO 13 HD3 PRO 13 1.497 1.060 -4.047 79 HA PRO 14 HA PRO 14 4.849 4.305 0.840 80 HB2 PRO 14 HB2 PRO 14 3.475 6.649 1.033 81 HB3 PRO 14 HB3 PRO 14 4.426 6.190 -0.415 82 HG2 PRO 14 HG2 PRO 14 1.450 5.801 0.039 83 HG3 PRO 14 HG3 PRO 14 2.256 6.581 -1.367 84 HD2 PRO 14 HD2 PRO 14 1.427 4.035 -1.413 85 HD3 PRO 14 HD3 PRO 14 3.012 4.487 -2.148 86 H LYS 15 H LYS 15 1.373 3.913 1.309 87 HA LYS 15 HA LYS 15 1.315 4.578 4.135 88 HB2 LYS 15 HB2 LYS 15 -1.019 3.639 3.997 89 HB3 LYS 15 HB3 LYS 15 -0.673 4.984 2.926 90 HG2 LYS 15 HG2 LYS 15 -0.492 3.541 0.991 91 HG3 LYS 15 HG3 LYS 15 -0.495 2.112 2.004 92 HD2 LYS 15 HD2 LYS 15 -2.627 2.045 1.188 93 HD3 LYS 15 HD3 LYS 15 -2.928 2.894 2.696 94 HE2 LYS 15 HE2 LYS 15 -3.286 4.942 1.681 95 HE3 LYS 15 HE3 LYS 15 -2.237 4.576 0.307 96 HZ1 LYS 15 HZ1 LYS 15 -4.860 3.266 0.624 97 HZ2 LYS 15 HZ2 LYS 15 -4.594 4.655 -0.252 98 HZ3 LYS 15 HZ3 LYS 15 -3.844 3.300 -0.701 99 H CYS 16 H CYS 16 2.285 1.703 2.531 100 HA CYS 16 HA CYS 16 1.567 -0.339 4.308 101 HB2 CYS 16 HB2 CYS 16 4.053 0.170 2.644 102 HB3 CYS 16 HB3 CYS 16 3.768 -1.357 3.477 103 H ARG 17 H ARG 17 4.197 2.034 4.717 104 HA ARG 17 HA ARG 17 4.796 1.158 7.442 105 HB2 ARG 17 HB2 ARG 17 7.146 0.600 6.881 106 HB3 ARG 17 HB3 ARG 17 5.962 -0.516 6.203 107 HG2 ARG 17 HG2 ARG 17 6.238 0.317 3.995 108 HG3 ARG 17 HG3 ARG 17 7.263 1.640 4.566 109 HD2 ARG 17 HD2 ARG 17 8.384 -0.383 3.479 110 HD3 ARG 17 HD3 ARG 17 9.105 0.243 4.928 111 HE ARG 17 HE ARG 17 7.614 -2.330 4.658 112 HH11 ARG 17 HH11 ARG 17 9.240 -0.183 6.942 113 HH12 ARG 17 HH12 ARG 17 9.597 -1.524 8.014 114 HH21 ARG 17 HH21 ARG 17 8.121 -3.905 6.040 115 HH22 ARG 17 HH22 ARG 17 8.827 -3.529 7.615 116 H ALA 18 H ALA 18 6.935 2.328 8.136 117 HA ALA 18 HA ALA 18 6.194 5.106 8.212 118 HB1 ALA 18 HB1 ALA 18 7.165 3.905 10.104 119 HB2 ALA 18 HB2 ALA 18 8.666 3.617 9.195 120 HB3 ALA 18 HB3 ALA 18 8.206 5.272 9.668 121 H GLN 19 H GLN 19 8.545 3.415 6.278 122 HA GLN 19 HA GLN 19 9.630 5.948 5.121 123 HB2 GLN 19 HB2 GLN 19 11.657 4.734 4.689 124 HB3 GLN 19 HB3 GLN 19 11.262 4.816 6.400 125 HG2 GLN 19 HG2 GLN 19 10.643 2.388 4.668 126 HG3 GLN 19 HG3 GLN 19 12.157 2.644 5.511 127 HE21 GLN 19 HE22 GLN 19 12.077 2.695 8.022 128 HE22 GLN 19 HE21 GLN 19 10.715 1.898 8.777 129 H GLY 20 H GLY 20 7.405 3.838 4.383 130 HA2 GLY 20 HA2 GLY 20 6.223 3.309 2.501 131 HA3 GLY 20 HA3 GLY 20 7.353 4.228 1.526 132 H CYS 21 H CYS 21 6.168 1.957 0.619 133 HA CYS 21 HA CYS 21 8.079 -0.302 0.816 134 HB2 CYS 21 HB2 CYS 21 5.541 -0.413 1.223 135 HB3 CYS 21 HB3 CYS 21 5.366 -0.212 -0.514 136 H LYS 22 H LYS 22 8.622 -1.540 -0.996 137 HA LYS 22 HA LYS 22 9.482 -0.322 -3.450 138 HB2 LYS 22 HB2 LYS 22 8.996 -3.189 -2.550 139 HB3 LYS 22 HB3 LYS 22 9.632 -2.804 -4.161 140 HG2 LYS 22 HG2 LYS 22 11.614 -1.786 -3.251 141 HG3 LYS 22 HG3 LYS 22 10.950 -1.826 -1.616 142 HD2 LYS 22 HD2 LYS 22 10.869 -4.356 -1.776 143 HD3 LYS 22 HD3 LYS 22 11.739 -4.215 -3.322 144 HE2 LYS 22 HE2 LYS 22 13.560 -4.459 -1.952 145 HE3 LYS 22 HE3 LYS 22 13.371 -2.717 -1.804 146 HZ1 LYS 22 HZ1 LYS 22 11.910 -3.313 0.213 147 HZ2 LYS 22 HZ2 LYS 22 12.527 -4.838 0.074 148 HZ3 LYS 22 HZ3 LYS 22 13.541 -3.562 0.351 149 H ASN 23 H ASN 23 6.641 -2.454 -2.848 150 HA ASN 23 HA ASN 23 5.158 -1.138 -4.990 151 HB2 ASN 23 HB2 ASN 23 6.559 -2.985 -6.108 152 HB3 ASN 23 HB3 ASN 23 5.580 -4.142 -5.196 153 HD21 ASN 23 HD22 ASN 23 5.315 -4.754 -7.685 154 HD22 ASN 23 HD21 ASN 23 3.839 -4.065 -8.353 155 H GLY 24 H GLY 24 2.976 -1.874 -5.068 156 HA2 GLY 24 HA2 GLY 24 1.736 -3.522 -3.130 157 HA3 GLY 24 HA3 GLY 24 1.606 -1.833 -2.589 158 H LYS 25 H LYS 25 -0.529 -3.741 -3.455 159 HA LYS 25 HA LYS 25 -1.845 -2.057 -5.488 160 HB2 LYS 25 HB2 LYS 25 -2.378 -3.785 -6.919 161 HB3 LYS 25 HB3 LYS 25 -0.670 -4.018 -6.633 162 HG2 LYS 25 HG2 LYS 25 -1.145 -5.873 -5.091 163 HG3 LYS 25 HG3 LYS 25 -2.884 -5.605 -5.218 164 HD2 LYS 25 HD2 LYS 25 -1.124 -6.398 -7.565 165 HD3 LYS 25 HD3 LYS 25 -2.092 -7.502 -6.572 166 HE2 LYS 25 HE2 LYS 25 -4.140 -6.131 -7.195 167 HE3 LYS 25 HE3 LYS 25 -3.127 -5.271 -8.371 168 HZ1 LYS 25 HZ1 LYS 25 -3.554 -8.207 -8.323 169 HZ2 LYS 25 HZ2 LYS 25 -4.295 -7.165 -9.354 170 HZ3 LYS 25 HZ3 LYS 25 -2.669 -7.394 -9.446 171 H CYS 26 H CYS 26 -4.177 -2.518 -5.700 172 HA CYS 26 HA CYS 26 -5.368 -3.400 -3.106 173 HB2 CYS 26 HB2 CYS 26 -5.721 -1.110 -3.354 174 HB3 CYS 26 HB3 CYS 26 -6.050 -1.234 -5.076 175 H MET 27 H MET 27 -7.039 -4.809 -3.038 176 HA MET 27 HA MET 27 -7.817 -6.201 -5.554 177 HB2 MET 27 HB2 MET 27 -8.256 -6.974 -2.657 178 HB3 MET 27 HB3 MET 27 -8.868 -7.856 -4.048 179 HG2 MET 27 HG2 MET 27 -6.913 -8.977 -3.367 180 HG3 MET 27 HG3 MET 27 -6.536 -8.153 -4.872 181 HE1 MET 27 HE1 MET 27 -4.910 -6.986 -0.669 182 HE2 MET 27 HE2 MET 27 -6.594 -6.673 -1.115 183 HE3 MET 27 HE3 MET 27 -6.006 -8.343 -0.998 184 H ASN 28 H ASN 28 -9.501 -4.778 -2.700 185 HA ASN 28 HA ASN 28 -11.284 -3.311 -4.509 186 HB2 ASN 28 HB2 ASN 28 -12.449 -5.526 -4.109 187 HB3 ASN 28 HB3 ASN 28 -12.474 -5.161 -2.384 188 HD21 ASN 28 HD22 ASN 28 -13.699 -4.142 -5.576 189 HD22 ASN 28 HD21 ASN 28 -15.071 -3.257 -4.896 190 H ARG 29 H ARG 29 -10.603 -4.059 -1.086 191 HA ARG 29 HA ARG 29 -10.726 -1.155 -0.356 192 HB2 ARG 29 HB2 ARG 29 -11.684 -3.508 1.322 193 HB3 ARG 29 HB3 ARG 29 -11.719 -1.812 1.796 194 HG2 ARG 29 HG2 ARG 29 -13.238 -3.038 -0.491 195 HG3 ARG 29 HG3 ARG 29 -13.885 -2.698 1.099 196 HD2 ARG 29 HD2 ARG 29 -13.394 -0.242 0.769 197 HD3 ARG 29 HD3 ARG 29 -12.782 -0.576 -0.829 198 HE ARG 29 HE ARG 29 -14.943 -0.895 -1.667 199 HH11 ARG 29 HH11 ARG 29 -15.215 -0.413 1.812 200 HH12 ARG 29 HH12 ARG 29 -16.874 0.131 1.668 201 HH21 ARG 29 HH21 ARG 29 -16.911 -0.158 -1.771 202 HH22 ARG 29 HH22 ARG 29 -17.717 0.542 -0.377 203 H LYS 30 H LYS 30 -8.845 -3.967 -0.315 204 HA LYS 30 HA LYS 30 -7.251 -3.073 2.062 205 HB2 LYS 30 HB2 LYS 30 -7.686 -5.849 0.897 206 HB3 LYS 30 HB3 LYS 30 -6.744 -5.487 2.329 207 HG2 LYS 30 HG2 LYS 30 -9.756 -4.873 2.063 208 HG3 LYS 30 HG3 LYS 30 -9.106 -6.347 2.748 209 HD2 LYS 30 HD2 LYS 30 -8.377 -3.608 3.881 210 HD3 LYS 30 HD3 LYS 30 -9.793 -4.523 4.378 211 HE2 LYS 30 HE2 LYS 30 -8.290 -6.479 4.922 212 HE3 LYS 30 HE3 LYS 30 -6.893 -5.428 4.632 213 HZ1 LYS 30 HZ1 LYS 30 -9.043 -4.847 6.613 214 HZ2 LYS 30 HZ2 LYS 30 -7.609 -5.501 7.030 215 HZ3 LYS 30 HZ3 LYS 30 -7.711 -3.973 6.422 216 H CYS 31 H CYS 31 -5.069 -2.787 1.882 217 HA CYS 31 HA CYS 31 -4.121 -2.720 -0.970 218 HB2 CYS 31 HB2 CYS 31 -4.558 -0.597 0.785 219 HB3 CYS 31 HB3 CYS 31 -2.808 -0.808 0.792 220 H LYS 32 H LYS 32 -2.861 -4.407 -1.285 221 HA LYS 32 HA LYS 32 -1.360 -5.721 0.745 222 HB2 LYS 32 HB2 LYS 32 -2.513 -6.697 -1.273 223 HB3 LYS 32 HB3 LYS 32 -1.233 -6.010 -2.289 224 HG2 LYS 32 HG2 LYS 32 0.456 -7.365 -1.154 225 HG3 LYS 32 HG3 LYS 32 -0.729 -7.861 0.077 226 HD2 LYS 32 HD2 LYS 32 -2.086 -8.947 -1.775 227 HD3 LYS 32 HD3 LYS 32 -0.714 -8.629 -2.882 228 HE2 LYS 32 HE2 LYS 32 0.790 -9.871 -1.410 229 HE3 LYS 32 HE3 LYS 32 -0.489 -10.007 -0.189 230 HZ1 LYS 32 HZ1 LYS 32 -0.266 -12.063 -1.499 231 HZ2 LYS 32 HZ2 LYS 32 -1.757 -11.398 -1.739 232 HZ3 LYS 32 HZ3 LYS 32 -0.615 -11.235 -2.886 233 H CYS 33 H CYS 33 0.651 -5.696 1.283 234 HA CYS 33 HA CYS 33 2.616 -3.860 -0.025 235 HB2 CYS 33 HB2 CYS 33 2.354 -4.867 2.830 236 HB3 CYS 33 HB3 CYS 33 3.576 -3.730 2.257 237 H TYR 34 H TYR 34 4.066 -4.989 -1.203 238 HA TYR 34 HA TYR 34 4.050 -7.895 -0.995 239 HB2 TYR 34 HB2 TYR 34 5.174 -5.886 -2.956 240 HB3 TYR 34 HB3 TYR 34 5.538 -7.591 -3.061 241 HD1 TYR 34 HD2 TYR 34 3.706 -9.312 -3.217 242 HD2 TYR 34 HD1 TYR 34 3.155 -5.110 -4.017 243 HE1 TYR 34 HE2 TYR 34 1.841 -9.855 -4.761 244 HE2 TYR 34 HE1 TYR 34 1.256 -5.657 -5.553 245 HH TYR 34 HH TYR 34 0.407 -9.043 -6.345 246 H TYR 35 H TYR 35 6.821 -5.614 -1.074 247 HA TYR 35 HA TYR 35 8.596 -7.847 -0.159 248 HB2 TYR 35 HB2 TYR 35 9.236 -5.763 -2.240 249 HB3 TYR 35 HB3 TYR 35 10.166 -7.211 -1.859 250 HD1 TYR 35 HD2 TYR 35 8.310 -9.411 -1.904 251 HD2 TYR 35 HD1 TYR 35 8.366 -5.889 -4.406 252 HE1 TYR 35 HE2 TYR 35 6.968 -10.593 -3.620 253 HE2 TYR 35 HE1 TYR 35 7.057 -7.113 -6.140 254 HH TYR 35 HH TYR 35 6.082 -10.540 -5.650 255 H CYS 36 H CYS 36 7.556 -5.641 1.556 256 HA CYS 36 HA CYS 36 10.134 -4.386 2.359 257 HB2 CYS 36 HB2 CYS 36 8.929 -2.306 2.453 258 HB3 CYS 36 HB3 CYS 36 8.827 -2.992 0.845 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 4.339 -7.010 4.925 2 H2 ALA 1 H2 ALA 1 4.242 -6.138 3.526 3 H3 ALA 1 H3 ALA 1 3.190 -7.378 3.814 4 HA ALA 1 HA ALA 1 2.409 -6.162 5.818 5 HB1 ALA 1 HB1 ALA 1 3.882 -3.885 4.419 6 HB2 ALA 1 HB2 ALA 1 2.804 -3.725 5.828 7 HB3 ALA 1 HB3 ALA 1 4.323 -4.632 5.973 8 H ALA 2 H ALA 2 0.338 -5.164 5.634 9 HA ALA 2 HA ALA 2 -0.798 -4.537 3.033 10 HB1 ALA 2 HB1 ALA 2 -2.134 -6.619 2.904 11 HB2 ALA 2 HB2 ALA 2 -0.426 -7.032 2.947 12 HB3 ALA 2 HB3 ALA 2 -1.394 -7.195 4.420 13 H ALA 3 H ALA 3 -3.427 -5.582 3.879 14 HA ALA 3 HA ALA 3 -5.262 -5.185 5.056 15 HB1 ALA 3 HB1 ALA 3 -3.795 -6.051 6.910 16 HB2 ALA 3 HB2 ALA 3 -3.458 -4.344 7.335 17 HB3 ALA 3 HB3 ALA 3 -5.110 -4.979 7.459 18 H ILE 4 H ILE 4 -3.564 -2.637 4.031 19 HA ILE 4 HA ILE 4 -4.635 -0.560 5.759 20 HB ILE 4 HB ILE 4 -3.473 0.990 4.272 21 HG12 ILE 4 HG12 ILE 4 -2.471 -1.438 2.716 22 HG13 ILE 4 HG13 ILE 4 -3.768 -0.383 2.141 23 HG21 ILE 4 HG21 ILE 4 -1.261 0.469 4.979 24 HG22 ILE 4 HG22 ILE 4 -2.342 -0.213 6.194 25 HG23 ILE 4 HG23 ILE 4 -1.593 -1.276 4.980 26 HD11 ILE 4 HD11 ILE 4 -2.311 1.536 2.078 27 HD12 ILE 4 HD12 ILE 4 -0.969 0.551 2.756 28 HD13 ILE 4 HD13 ILE 4 -1.617 0.181 1.152 29 H SER 5 H SER 5 -5.841 1.190 5.084 30 HA SER 5 HA SER 5 -8.080 0.700 3.368 31 HB2 SER 5 HB2 SER 5 -6.928 3.369 4.265 32 HB3 SER 5 HB3 SER 5 -8.529 3.094 3.527 33 HG SER 5 HG SER 5 -8.707 3.171 5.749 34 H CYS 6 H CYS 6 -7.753 0.196 1.309 35 HA CYS 6 HA CYS 6 -5.791 1.257 -0.489 36 HB2 CYS 6 HB2 CYS 6 -6.952 -0.823 -0.873 37 HB3 CYS 6 HB3 CYS 6 -8.514 0.008 -0.939 38 H VAL 7 H VAL 7 -9.074 2.555 0.326 39 HA VAL 7 HA VAL 7 -8.892 4.639 -1.718 40 HB VAL 7 HB VAL 7 -10.687 5.763 -0.653 41 HG11 VAL 7 HG11 VAL 7 -11.230 2.777 -0.495 42 HG12 VAL 7 HG12 VAL 7 -12.391 4.092 -0.782 43 HG13 VAL 7 HG13 VAL 7 -11.158 3.733 -1.994 44 HG21 VAL 7 HG21 VAL 7 -10.380 3.918 1.747 45 HG22 VAL 7 HG22 VAL 7 -10.313 5.695 1.714 46 HG23 VAL 7 HG23 VAL 7 -11.829 4.870 1.398 47 H GLY 8 H GLY 8 -8.092 4.441 1.675 48 HA2 GLY 8 HA2 GLY 8 -7.016 5.892 3.132 49 HA3 GLY 8 HA3 GLY 8 -5.775 5.554 1.925 50 H SER 9 H SER 9 -4.718 7.076 1.170 51 HA SER 9 HA SER 9 -5.981 9.514 0.201 52 HB2 SER 9 HB2 SER 9 -5.582 10.211 2.474 53 HB3 SER 9 HB3 SER 9 -3.911 9.684 2.400 54 HG SER 9 HG SER 9 -3.937 11.833 2.028 55 HA PRO 10 HA PRO 10 -1.892 8.513 -1.971 56 HB2 PRO 10 HB2 PRO 10 0.040 6.989 -0.915 57 HB3 PRO 10 HB3 PRO 10 -0.053 8.742 -0.495 58 HG2 PRO 10 HG2 PRO 10 -1.130 6.379 1.047 59 HG3 PRO 10 HG3 PRO 10 -0.110 7.689 1.701 60 HD2 PRO 10 HD2 PRO 10 -2.862 7.672 1.904 61 HD3 PRO 10 HD3 PRO 10 -1.934 9.197 1.693 62 H GLU 11 H GLU 11 -1.397 6.388 -3.113 63 HA GLU 11 HA GLU 11 -3.696 4.675 -2.984 64 HB2 GLU 11 HB2 GLU 11 -1.125 4.266 -4.570 65 HB3 GLU 11 HB3 GLU 11 -2.635 3.403 -4.769 66 HG2 GLU 11 HG2 GLU 11 -2.473 5.050 -6.502 67 HG3 GLU 11 HG3 GLU 11 -3.788 5.479 -5.410 68 H CYS 12 H CYS 12 -0.295 3.439 -2.736 69 HA CYS 12 HA CYS 12 -1.140 1.829 -0.403 70 HB2 CYS 12 HB2 CYS 12 -0.458 0.537 -3.050 71 HB3 CYS 12 HB3 CYS 12 -0.421 -0.279 -1.499 72 HA PRO 13 HA PRO 13 3.454 0.606 -0.930 73 HB2 PRO 13 HB2 PRO 13 4.769 2.814 -2.409 74 HB3 PRO 13 HB3 PRO 13 4.979 1.054 -2.547 75 HG2 PRO 13 HG2 PRO 13 3.543 2.664 -4.342 76 HG3 PRO 13 HG3 PRO 13 3.382 0.890 -4.168 77 HD2 PRO 13 HD2 PRO 13 1.524 3.012 -3.340 78 HD3 PRO 13 HD3 PRO 13 1.270 1.274 -3.567 79 HA PRO 14 HA PRO 14 5.169 4.442 1.255 80 HB2 PRO 14 HB2 PRO 14 3.913 6.853 1.328 81 HB3 PRO 14 HB3 PRO 14 4.960 6.346 -0.035 82 HG2 PRO 14 HG2 PRO 14 1.940 6.157 0.160 83 HG3 PRO 14 HG3 PRO 14 2.917 6.849 -1.177 84 HD2 PRO 14 HD2 PRO 14 1.952 4.317 -1.267 85 HD3 PRO 14 HD3 PRO 14 3.565 4.721 -1.934 86 H LYS 15 H LYS 15 1.768 3.709 1.391 87 HA LYS 15 HA LYS 15 1.393 4.610 4.171 88 HB2 LYS 15 HB2 LYS 15 -0.324 4.791 2.286 89 HB3 LYS 15 HB3 LYS 15 -0.552 3.047 2.438 90 HG2 LYS 15 HG2 LYS 15 -1.054 3.545 4.953 91 HG3 LYS 15 HG3 LYS 15 -1.083 5.241 4.474 92 HD2 LYS 15 HD2 LYS 15 -2.977 3.023 3.615 93 HD3 LYS 15 HD3 LYS 15 -3.320 4.410 4.619 94 HE2 LYS 15 HE2 LYS 15 -4.043 5.474 2.829 95 HE3 LYS 15 HE3 LYS 15 -2.377 5.605 2.310 96 HZ1 LYS 15 HZ1 LYS 15 -4.306 3.472 1.499 97 HZ2 LYS 15 HZ2 LYS 15 -3.655 4.617 0.520 98 HZ3 LYS 15 HZ3 LYS 15 -2.716 3.457 1.065 99 H CYS 16 H CYS 16 2.133 1.573 2.519 100 HA CYS 16 HA CYS 16 1.211 -0.322 4.346 101 HB2 CYS 16 HB2 CYS 16 3.672 -0.249 2.586 102 HB3 CYS 16 HB3 CYS 16 3.249 -1.676 3.524 103 H ARG 17 H ARG 17 3.972 1.815 4.882 104 HA ARG 17 HA ARG 17 3.984 1.149 7.681 105 HB2 ARG 17 HB2 ARG 17 6.261 0.549 7.954 106 HB3 ARG 17 HB3 ARG 17 5.443 -0.571 6.845 107 HG2 ARG 17 HG2 ARG 17 6.535 0.515 4.916 108 HG3 ARG 17 HG3 ARG 17 7.337 1.646 6.014 109 HD2 ARG 17 HD2 ARG 17 8.817 -0.116 5.285 110 HD3 ARG 17 HD3 ARG 17 8.625 -0.122 7.043 111 HE ARG 17 HE ARG 17 7.634 -2.143 5.112 112 HH11 ARG 17 HH11 ARG 17 7.686 -1.336 8.587 113 HH12 ARG 17 HH12 ARG 17 6.668 -2.707 8.907 114 HH21 ARG 17 HH21 ARG 17 6.860 -4.106 5.797 115 HH22 ARG 17 HH22 ARG 17 6.187 -4.130 7.427 116 H ALA 18 H ALA 18 5.746 2.598 8.823 117 HA ALA 18 HA ALA 18 5.194 5.291 8.321 118 HB1 ALA 18 HB1 ALA 18 6.902 5.735 9.994 119 HB2 ALA 18 HB2 ALA 18 5.981 4.286 10.454 120 HB3 ALA 18 HB3 ALA 18 7.598 4.114 9.771 121 H GLN 19 H GLN 19 8.363 3.707 7.601 122 HA GLN 19 HA GLN 19 9.218 5.983 5.993 123 HB2 GLN 19 HB2 GLN 19 11.270 4.879 5.690 124 HB3 GLN 19 HB3 GLN 19 10.768 4.591 7.348 125 HG2 GLN 19 HG2 GLN 19 9.998 2.280 6.623 126 HG3 GLN 19 HG3 GLN 19 10.621 2.618 5.023 127 HE21 GLN 19 HE22 GLN 19 11.749 2.580 8.499 128 HE22 GLN 19 HE21 GLN 19 13.366 2.071 8.064 129 H GLY 20 H GLY 20 7.165 3.483 5.329 130 HA2 GLY 20 HA2 GLY 20 6.027 2.810 3.524 131 HA3 GLY 20 HA3 GLY 20 6.900 3.975 2.505 132 H CYS 21 H CYS 21 6.163 1.796 1.393 133 HA CYS 21 HA CYS 21 8.357 -0.216 1.381 134 HB2 CYS 21 HB2 CYS 21 5.333 -0.355 1.174 135 HB3 CYS 21 HB3 CYS 21 6.305 -1.645 0.531 136 H LYS 22 H LYS 22 8.531 -1.536 -0.505 137 HA LYS 22 HA LYS 22 9.313 -0.105 -2.756 138 HB2 LYS 22 HB2 LYS 22 8.710 -3.092 -2.618 139 HB3 LYS 22 HB3 LYS 22 9.739 -2.268 -3.801 140 HG2 LYS 22 HG2 LYS 22 11.218 -1.552 -1.845 141 HG3 LYS 22 HG3 LYS 22 10.231 -2.607 -0.820 142 HD2 LYS 22 HD2 LYS 22 10.832 -4.551 -2.292 143 HD3 LYS 22 HD3 LYS 22 11.834 -3.472 -3.259 144 HE2 LYS 22 HE2 LYS 22 13.303 -4.638 -1.806 145 HE3 LYS 22 HE3 LYS 22 13.202 -2.985 -1.207 146 HZ1 LYS 22 HZ1 LYS 22 11.690 -3.733 0.503 147 HZ2 LYS 22 HZ2 LYS 22 11.689 -5.275 -0.052 148 HZ3 LYS 22 HZ3 LYS 22 13.068 -4.592 0.584 149 H ASN 23 H ASN 23 6.628 -2.493 -2.931 150 HA ASN 23 HA ASN 23 4.964 -0.724 -4.528 151 HB2 ASN 23 HB2 ASN 23 6.705 -1.862 -6.135 152 HB3 ASN 23 HB3 ASN 23 5.807 -3.339 -5.842 153 HD21 ASN 23 HD22 ASN 23 5.554 -3.088 -8.312 154 HD22 ASN 23 HD21 ASN 23 4.218 -2.072 -8.839 155 H GLY 24 H GLY 24 2.880 -1.968 -5.213 156 HA2 GLY 24 HA2 GLY 24 2.157 -4.352 -3.698 157 HA3 GLY 24 HA3 GLY 24 1.458 -2.876 -3.035 158 H LYS 25 H LYS 25 -0.407 -4.305 -3.467 159 HA LYS 25 HA LYS 25 -1.793 -3.635 -6.010 160 HB2 LYS 25 HB2 LYS 25 -0.596 -5.736 -6.359 161 HB3 LYS 25 HB3 LYS 25 -1.287 -6.434 -4.903 162 HG2 LYS 25 HG2 LYS 25 -2.478 -7.407 -6.671 163 HG3 LYS 25 HG3 LYS 25 -3.588 -6.193 -6.037 164 HD2 LYS 25 HD2 LYS 25 -2.843 -4.635 -7.892 165 HD3 LYS 25 HD3 LYS 25 -1.755 -5.903 -8.456 166 HE2 LYS 25 HE2 LYS 25 -3.695 -6.032 -9.844 167 HE3 LYS 25 HE3 LYS 25 -3.752 -7.425 -8.766 168 HZ1 LYS 25 HZ1 LYS 25 -5.364 -6.105 -7.373 169 HZ2 LYS 25 HZ2 LYS 25 -5.298 -4.903 -8.437 170 HZ3 LYS 25 HZ3 LYS 25 -5.930 -6.353 -8.899 171 H CYS 26 H CYS 26 -3.771 -2.971 -5.578 172 HA CYS 26 HA CYS 26 -5.204 -3.671 -3.081 173 HB2 CYS 26 HB2 CYS 26 -5.060 -1.341 -3.694 174 HB3 CYS 26 HB3 CYS 26 -5.699 -1.669 -5.298 175 H MET 27 H MET 27 -7.388 -4.435 -3.130 176 HA MET 27 HA MET 27 -8.315 -5.703 -5.689 177 HB2 MET 27 HB2 MET 27 -8.334 -7.037 -2.965 178 HB3 MET 27 HB3 MET 27 -9.067 -7.691 -4.426 179 HG2 MET 27 HG2 MET 27 -6.097 -7.174 -4.011 180 HG3 MET 27 HG3 MET 27 -6.884 -8.728 -3.862 181 HE1 MET 27 HE1 MET 27 -7.676 -9.812 -7.483 182 HE2 MET 27 HE2 MET 27 -7.559 -10.296 -5.777 183 HE3 MET 27 HE3 MET 27 -8.786 -9.113 -6.288 184 H ASN 28 H ASN 28 -9.266 -4.287 -2.537 185 HA ASN 28 HA ASN 28 -11.797 -3.414 -3.708 186 HB2 ASN 28 HB2 ASN 28 -13.161 -4.373 -1.894 187 HB3 ASN 28 HB3 ASN 28 -12.433 -5.602 -2.898 188 HD21 ASN 28 HD22 ASN 28 -13.394 -6.514 -0.655 189 HD22 ASN 28 HD21 ASN 28 -12.127 -6.839 0.534 190 H ARG 29 H ARG 29 -11.816 -3.393 -0.322 191 HA ARG 29 HA ARG 29 -10.965 -0.581 0.004 192 HB2 ARG 29 HB2 ARG 29 -11.560 -2.735 2.080 193 HB3 ARG 29 HB3 ARG 29 -11.431 -1.012 2.397 194 HG2 ARG 29 HG2 ARG 29 -13.527 -2.176 0.594 195 HG3 ARG 29 HG3 ARG 29 -13.666 -2.110 2.359 196 HD2 ARG 29 HD2 ARG 29 -14.849 -0.213 1.723 197 HD3 ARG 29 HD3 ARG 29 -13.265 0.428 2.172 198 HE ARG 29 HE ARG 29 -13.476 -0.199 -0.677 199 HH11 ARG 29 HH11 ARG 29 -14.545 2.275 1.631 200 HH12 ARG 29 HH12 ARG 29 -14.909 3.390 0.359 201 HH21 ARG 29 HH21 ARG 29 -13.443 1.461 -2.103 202 HH22 ARG 29 HH22 ARG 29 -14.244 2.955 -1.734 203 H LYS 30 H LYS 30 -9.497 -3.725 0.032 204 HA LYS 30 HA LYS 30 -7.326 -2.862 1.866 205 HB2 LYS 30 HB2 LYS 30 -8.318 -5.626 1.076 206 HB3 LYS 30 HB3 LYS 30 -6.987 -5.293 2.177 207 HG2 LYS 30 HG2 LYS 30 -9.908 -4.483 2.647 208 HG3 LYS 30 HG3 LYS 30 -9.048 -5.823 3.409 209 HD2 LYS 30 HD2 LYS 30 -7.333 -4.046 4.207 210 HD3 LYS 30 HD3 LYS 30 -8.559 -2.854 3.754 211 HE2 LYS 30 HE2 LYS 30 -10.173 -4.144 5.284 212 HE3 LYS 30 HE3 LYS 30 -8.753 -5.054 5.851 213 HZ1 LYS 30 HZ1 LYS 30 -9.003 -3.209 7.316 214 HZ2 LYS 30 HZ2 LYS 30 -7.761 -2.807 6.352 215 HZ3 LYS 30 HZ3 LYS 30 -9.238 -2.141 6.053 216 H CYS 31 H CYS 31 -5.218 -3.429 1.548 217 HA CYS 31 HA CYS 31 -4.324 -3.988 -1.210 218 HB2 CYS 31 HB2 CYS 31 -4.591 -1.415 -0.582 219 HB3 CYS 31 HB3 CYS 31 -3.107 -1.682 0.312 220 H LYS 32 H LYS 32 -2.390 -5.035 -1.364 221 HA LYS 32 HA LYS 32 -0.820 -5.598 1.104 222 HB2 LYS 32 HB2 LYS 32 -2.135 -7.487 0.363 223 HB3 LYS 32 HB3 LYS 32 -1.633 -7.244 -1.316 224 HG2 LYS 32 HG2 LYS 32 0.659 -7.870 -0.787 225 HG3 LYS 32 HG3 LYS 32 0.239 -8.071 0.930 226 HD2 LYS 32 HD2 LYS 32 -1.244 -9.934 0.437 227 HD3 LYS 32 HD3 LYS 32 -1.134 -9.623 -1.318 228 HE2 LYS 32 HE2 LYS 32 1.256 -9.993 -1.285 229 HE3 LYS 32 HE3 LYS 32 1.230 -10.283 0.462 230 HZ1 LYS 32 HZ1 LYS 32 -0.145 -12.255 0.044 231 HZ2 LYS 32 HZ2 LYS 32 -0.091 -11.970 -1.601 232 HZ3 LYS 32 HZ3 LYS 32 1.263 -12.368 -0.768 233 H CYS 33 H CYS 33 1.308 -5.130 1.058 234 HA CYS 33 HA CYS 33 2.565 -4.155 -1.443 235 HB2 CYS 33 HB2 CYS 33 3.335 -3.989 1.475 236 HB3 CYS 33 HB3 CYS 33 4.523 -3.816 0.201 237 H TYR 34 H TYR 34 4.010 -5.345 -2.592 238 HA TYR 34 HA TYR 34 3.866 -8.204 -2.213 239 HB2 TYR 34 HB2 TYR 34 5.395 -6.452 -4.176 240 HB3 TYR 34 HB3 TYR 34 5.352 -8.199 -4.264 241 HD1 TYR 34 HD1 TYR 34 2.802 -9.218 -4.126 242 HD2 TYR 34 HD2 TYR 34 3.974 -5.381 -5.740 243 HE1 TYR 34 HE1 TYR 34 0.947 -9.324 -5.765 244 HE2 TYR 34 HE2 TYR 34 2.120 -5.509 -7.371 245 HH TYR 34 HH TYR 34 0.078 -8.444 -7.649 246 H TYR 35 H TYR 35 6.541 -5.915 -1.880 247 HA TYR 35 HA TYR 35 8.369 -8.068 -0.859 248 HB2 TYR 35 HB2 TYR 35 9.058 -5.809 -2.746 249 HB3 TYR 35 HB3 TYR 35 10.134 -7.097 -2.208 250 HD1 TYR 35 HD1 TYR 35 9.151 -9.590 -2.725 251 HD2 TYR 35 HD2 TYR 35 8.230 -5.983 -4.913 252 HE1 TYR 35 HE1 TYR 35 8.544 -10.943 -4.721 253 HE2 TYR 35 HE2 TYR 35 7.585 -7.336 -6.880 254 HH TYR 35 HH TYR 35 7.819 -10.919 -6.855 255 H CYS 36 H CYS 36 6.844 -6.290 0.849 256 HA CYS 36 HA CYS 36 8.952 -5.403 2.558 257 HB2 CYS 36 HB2 CYS 36 9.152 -3.566 1.075 258 HB3 CYS 36 HB3 CYS 36 7.408 -3.380 0.941 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 4.519 -6.513 5.606 2 H2 ALA 1 H2 ALA 1 4.431 -4.896 5.289 3 H3 ALA 1 H3 ALA 1 4.949 -5.950 4.119 4 HA ALA 1 HA ALA 1 2.717 -5.286 3.631 5 HB1 ALA 1 HB1 ALA 1 1.650 -7.562 3.659 6 HB2 ALA 1 HB2 ALA 1 3.287 -7.567 3.028 7 HB3 ALA 1 HB3 ALA 1 2.970 -8.144 4.664 8 H ALA 2 H ALA 2 0.531 -4.795 4.371 9 HA ALA 2 HA ALA 2 -0.228 -5.392 7.094 10 HB1 ALA 2 HB1 ALA 2 -0.421 -3.012 7.792 11 HB2 ALA 2 HB2 ALA 2 1.268 -3.453 7.518 12 HB3 ALA 2 HB3 ALA 2 0.396 -2.500 6.299 13 H ALA 3 H ALA 3 -2.490 -5.170 7.289 14 HA ALA 3 HA ALA 3 -3.931 -4.653 4.767 15 HB1 ALA 3 HB1 ALA 3 -5.924 -5.281 5.978 16 HB2 ALA 3 HB2 ALA 3 -4.654 -6.514 6.126 17 HB3 ALA 3 HB3 ALA 3 -5.002 -5.426 7.493 18 H ILE 4 H ILE 4 -3.977 -2.643 4.184 19 HA ILE 4 HA ILE 4 -4.865 -0.526 6.087 20 HB ILE 4 HB ILE 4 -3.629 1.080 4.860 21 HG12 ILE 4 HG12 ILE 4 -1.596 -0.012 3.600 22 HG13 ILE 4 HG13 ILE 4 -2.710 -1.309 3.229 23 HG21 ILE 4 HG21 ILE 4 -2.716 -0.010 6.879 24 HG22 ILE 4 HG22 ILE 4 -1.880 -1.180 5.823 25 HG23 ILE 4 HG23 ILE 4 -1.508 0.565 5.723 26 HD11 ILE 4 HD11 ILE 4 -3.109 1.669 2.762 27 HD12 ILE 4 HD12 ILE 4 -2.619 0.504 1.500 28 HD13 ILE 4 HD13 ILE 4 -4.241 0.392 2.217 29 H SER 5 H SER 5 -5.994 1.259 5.239 30 HA SER 5 HA SER 5 -8.177 0.452 3.508 31 HB2 SER 5 HB2 SER 5 -7.532 3.172 4.717 32 HB3 SER 5 HB3 SER 5 -9.044 2.692 3.937 33 HG SER 5 HG SER 5 -9.309 2.462 6.132 34 H CYS 6 H CYS 6 -7.892 0.339 1.363 35 HA CYS 6 HA CYS 6 -6.013 1.890 -0.174 36 HB2 CYS 6 HB2 CYS 6 -6.947 -0.247 -0.841 37 HB3 CYS 6 HB3 CYS 6 -8.554 0.460 -0.973 38 H VAL 7 H VAL 7 -9.239 2.790 0.974 39 HA VAL 7 HA VAL 7 -9.740 4.881 -0.935 40 HB VAL 7 HB VAL 7 -11.449 5.666 0.633 41 HG11 VAL 7 HG11 VAL 7 -12.855 3.726 0.572 42 HG12 VAL 7 HG12 VAL 7 -11.867 3.775 -0.892 43 HG13 VAL 7 HG13 VAL 7 -11.464 2.639 0.409 44 HG21 VAL 7 HG21 VAL 7 -11.931 4.562 2.736 45 HG22 VAL 7 HG22 VAL 7 -10.508 3.525 2.575 46 HG23 VAL 7 HG23 VAL 7 -10.321 5.279 2.821 47 H GLY 8 H GLY 8 -7.552 4.919 1.653 48 HA2 GLY 8 HA2 GLY 8 -7.850 7.247 3.030 49 HA3 GLY 8 HA3 GLY 8 -6.294 6.513 2.633 50 H SER 9 H SER 9 -4.949 7.394 1.162 51 HA SER 9 HA SER 9 -5.814 9.757 -0.445 52 HB2 SER 9 HB2 SER 9 -3.896 9.811 1.832 53 HB3 SER 9 HB3 SER 9 -3.404 10.675 0.357 54 HG SER 9 HG SER 9 -5.136 11.941 0.438 55 HA PRO 10 HA PRO 10 -2.271 7.487 -2.639 56 HB2 PRO 10 HB2 PRO 10 -0.460 5.986 -1.351 57 HB3 PRO 10 HB3 PRO 10 -0.314 7.780 -1.298 58 HG2 PRO 10 HG2 PRO 10 -1.588 5.932 0.734 59 HG3 PRO 10 HG3 PRO 10 -0.349 7.194 1.050 60 HD2 PRO 10 HD2 PRO 10 -3.054 7.600 1.377 61 HD3 PRO 10 HD3 PRO 10 -1.943 8.904 0.810 62 H GLU 11 H GLU 11 -1.917 5.021 -3.218 63 HA GLU 11 HA GLU 11 -4.363 3.568 -2.464 64 HB2 GLU 11 HB2 GLU 11 -2.132 2.703 -4.323 65 HB3 GLU 11 HB3 GLU 11 -3.728 1.973 -4.147 66 HG2 GLU 11 HG2 GLU 11 -4.766 4.068 -4.997 67 HG3 GLU 11 HG3 GLU 11 -3.149 4.767 -5.228 68 H CYS 12 H CYS 12 -0.934 2.462 -2.642 69 HA CYS 12 HA CYS 12 -1.417 0.795 -0.220 70 HB2 CYS 12 HB2 CYS 12 -2.262 -0.447 -2.059 71 HB3 CYS 12 HB3 CYS 12 -0.805 -0.245 -2.990 72 HA PRO 13 HA PRO 13 3.164 0.051 -0.761 73 HB2 PRO 13 HB2 PRO 13 4.712 1.704 -2.443 74 HB3 PRO 13 HB3 PRO 13 4.179 0.027 -2.722 75 HG2 PRO 13 HG2 PRO 13 2.975 2.573 -3.769 76 HG3 PRO 13 HG3 PRO 13 3.079 0.973 -4.553 77 HD2 PRO 13 HD2 PRO 13 0.780 1.909 -3.397 78 HD3 PRO 13 HD3 PRO 13 1.210 0.185 -3.426 79 HA PRO 14 HA PRO 14 4.730 4.163 0.949 80 HB2 PRO 14 HB2 PRO 14 3.395 6.508 0.797 81 HB3 PRO 14 HB3 PRO 14 4.400 5.903 -0.558 82 HG2 PRO 14 HG2 PRO 14 1.409 5.601 -0.175 83 HG3 PRO 14 HG3 PRO 14 2.265 6.217 -1.629 84 HD2 PRO 14 HD2 PRO 14 1.439 3.621 -1.435 85 HD3 PRO 14 HD3 PRO 14 2.999 4.062 -2.216 86 H LYS 15 H LYS 15 1.267 3.483 1.155 87 HA LYS 15 HA LYS 15 1.049 4.454 3.927 88 HB2 LYS 15 HB2 LYS 15 -0.785 4.442 2.040 89 HB3 LYS 15 HB3 LYS 15 -1.079 2.782 2.585 90 HG2 LYS 15 HG2 LYS 15 -1.291 3.782 4.964 91 HG3 LYS 15 HG3 LYS 15 -1.184 5.366 4.199 92 HD2 LYS 15 HD2 LYS 15 -3.457 3.365 4.038 93 HD3 LYS 15 HD3 LYS 15 -3.424 4.973 4.701 94 HE2 LYS 15 HE2 LYS 15 -4.470 5.502 2.801 95 HE3 LYS 15 HE3 LYS 15 -2.816 5.705 2.229 96 HZ1 LYS 15 HZ1 LYS 15 -4.076 4.417 0.643 97 HZ2 LYS 15 HZ2 LYS 15 -3.043 3.361 1.309 98 HZ3 LYS 15 HZ3 LYS 15 -4.618 3.384 1.793 99 H CYS 16 H CYS 16 2.060 1.520 2.465 100 HA CYS 16 HA CYS 16 1.042 -0.415 4.192 101 HB2 CYS 16 HB2 CYS 16 2.228 -0.634 1.976 102 HB3 CYS 16 HB3 CYS 16 3.759 -0.473 2.829 103 H ARG 17 H ARG 17 3.690 1.775 4.913 104 HA ARG 17 HA ARG 17 3.736 1.086 7.710 105 HB2 ARG 17 HB2 ARG 17 6.099 0.495 7.860 106 HB3 ARG 17 HB3 ARG 17 5.211 -0.678 6.862 107 HG2 ARG 17 HG2 ARG 17 6.098 0.335 4.804 108 HG3 ARG 17 HG3 ARG 17 6.956 1.534 5.788 109 HD2 ARG 17 HD2 ARG 17 8.458 -0.157 5.069 110 HD3 ARG 17 HD3 ARG 17 8.330 -0.176 6.818 111 HE ARG 17 HE ARG 17 7.096 -2.187 4.943 112 HH11 ARG 17 HH11 ARG 17 8.211 -1.533 8.235 113 HH12 ARG 17 HH12 ARG 17 8.524 -3.215 8.510 114 HH21 ARG 17 HH21 ARG 17 7.295 -4.349 5.503 115 HH22 ARG 17 HH22 ARG 17 7.659 -4.706 7.181 116 H ALA 18 H ALA 18 5.397 2.533 8.858 117 HA ALA 18 HA ALA 18 4.835 5.204 8.315 118 HB1 ALA 18 HB1 ALA 18 7.124 3.901 9.851 119 HB2 ALA 18 HB2 ALA 18 6.696 5.637 9.965 120 HB3 ALA 18 HB3 ALA 18 5.535 4.398 10.488 121 H GLN 19 H GLN 19 7.786 3.449 7.347 122 HA GLN 19 HA GLN 19 8.813 5.793 5.824 123 HB2 GLN 19 HB2 GLN 19 10.839 4.517 5.574 124 HB3 GLN 19 HB3 GLN 19 10.378 4.728 7.263 125 HG2 GLN 19 HG2 GLN 19 9.621 2.179 5.775 126 HG3 GLN 19 HG3 GLN 19 11.232 2.441 6.393 127 HE21 GLN 19 HE22 GLN 19 11.561 2.616 8.746 128 HE22 GLN 19 HE21 GLN 19 10.265 2.112 9.848 129 H GLY 20 H GLY 20 6.562 3.649 5.080 130 HA2 GLY 20 HA2 GLY 20 5.676 2.688 3.257 131 HA3 GLY 20 HA3 GLY 20 6.664 3.772 2.259 132 H CYS 21 H CYS 21 6.007 1.461 1.266 133 HA CYS 21 HA CYS 21 8.294 -0.445 1.521 134 HB2 CYS 21 HB2 CYS 21 5.317 -0.676 0.969 135 HB3 CYS 21 HB3 CYS 21 6.390 -1.901 0.342 136 H LYS 22 H LYS 22 8.859 -1.739 -0.322 137 HA LYS 22 HA LYS 22 9.812 -0.274 -2.490 138 HB2 LYS 22 HB2 LYS 22 9.223 -3.273 -2.482 139 HB3 LYS 22 HB3 LYS 22 10.301 -2.398 -3.596 140 HG2 LYS 22 HG2 LYS 22 11.695 -1.728 -1.562 141 HG3 LYS 22 HG3 LYS 22 10.697 -2.846 -0.597 142 HD2 LYS 22 HD2 LYS 22 11.376 -4.716 -2.183 143 HD3 LYS 22 HD3 LYS 22 12.397 -3.557 -3.044 144 HE2 LYS 22 HE2 LYS 22 13.913 -4.640 -1.668 145 HE3 LYS 22 HE3 LYS 22 13.569 -3.167 -0.765 146 HZ1 LYS 22 HZ1 LYS 22 11.981 -4.502 0.588 147 HZ2 LYS 22 HZ2 LYS 22 12.403 -5.863 -0.245 148 HZ3 LYS 22 HZ3 LYS 22 13.506 -5.106 0.672 149 H ASN 23 H ASN 23 7.100 -2.607 -2.847 150 HA ASN 23 HA ASN 23 5.595 -0.720 -4.488 151 HB2 ASN 23 HB2 ASN 23 7.256 -2.000 -6.024 152 HB3 ASN 23 HB3 ASN 23 6.255 -3.413 -5.731 153 HD21 ASN 23 HD22 ASN 23 6.497 -2.781 -8.279 154 HD22 ASN 23 HD21 ASN 23 5.106 -1.873 -8.881 155 H GLY 24 H GLY 24 3.429 -1.820 -5.133 156 HA2 GLY 24 HA2 GLY 24 2.351 -4.062 -3.807 157 HA3 GLY 24 HA3 GLY 24 2.052 -2.664 -2.759 158 H LYS 25 H LYS 25 -0.046 -4.101 -3.791 159 HA LYS 25 HA LYS 25 -1.323 -2.228 -5.746 160 HB2 LYS 25 HB2 LYS 25 -1.269 -5.265 -5.780 161 HB3 LYS 25 HB3 LYS 25 -2.440 -4.344 -6.700 162 HG2 LYS 25 HG2 LYS 25 0.521 -3.846 -7.117 163 HG3 LYS 25 HG3 LYS 25 -0.268 -5.263 -7.792 164 HD2 LYS 25 HD2 LYS 25 -0.033 -3.437 -9.399 165 HD3 LYS 25 HD3 LYS 25 -1.696 -4.001 -9.190 166 HE2 LYS 25 HE2 LYS 25 -2.296 -2.061 -7.897 167 HE3 LYS 25 HE3 LYS 25 -0.604 -1.537 -7.784 168 HZ1 LYS 25 HZ1 LYS 25 -0.596 -1.085 -10.120 169 HZ2 LYS 25 HZ2 LYS 25 -2.113 -1.687 -10.354 170 HZ3 LYS 25 HZ3 LYS 25 -1.867 -0.319 -9.474 171 H CYS 26 H CYS 26 -3.543 -2.068 -5.666 172 HA CYS 26 HA CYS 26 -4.832 -2.884 -3.121 173 HB2 CYS 26 HB2 CYS 26 -4.811 -0.554 -3.359 174 HB3 CYS 26 HB3 CYS 26 -5.248 -0.615 -5.059 175 H MET 27 H MET 27 -6.779 -3.856 -3.016 176 HA MET 27 HA MET 27 -8.262 -4.599 -5.486 177 HB2 MET 27 HB2 MET 27 -7.118 -6.633 -4.843 178 HB3 MET 27 HB3 MET 27 -7.637 -6.459 -3.155 179 HG2 MET 27 HG2 MET 27 -9.968 -6.779 -3.769 180 HG3 MET 27 HG3 MET 27 -9.577 -6.696 -5.487 181 HE1 MET 27 HE1 MET 27 -9.400 -8.706 -2.181 182 HE2 MET 27 HE2 MET 27 -8.673 -10.259 -2.656 183 HE3 MET 27 HE3 MET 27 -7.671 -8.795 -2.601 184 H ASN 28 H ASN 28 -9.890 -3.276 -5.301 185 HA ASN 28 HA ASN 28 -11.541 -1.997 -4.701 186 HB2 ASN 28 HB2 ASN 28 -12.569 -4.291 -4.527 187 HB3 ASN 28 HB3 ASN 28 -12.370 -4.180 -2.773 188 HD21 ASN 28 HD22 ASN 28 -14.655 -4.191 -2.336 189 HD22 ASN 28 HD21 ASN 28 -15.673 -2.824 -2.828 190 H ARG 29 H ARG 29 -10.616 -3.270 -1.564 191 HA ARG 29 HA ARG 29 -10.582 -0.511 -0.423 192 HB2 ARG 29 HB2 ARG 29 -11.520 -3.092 0.921 193 HB3 ARG 29 HB3 ARG 29 -11.564 -1.499 1.663 194 HG2 ARG 29 HG2 ARG 29 -13.098 -2.097 -0.866 195 HG3 ARG 29 HG3 ARG 29 -13.689 -2.588 0.734 196 HD2 ARG 29 HD2 ARG 29 -13.628 -0.247 1.479 197 HD3 ARG 29 HD3 ARG 29 -13.089 0.261 -0.132 198 HE ARG 29 HE ARG 29 -15.515 -1.298 -0.332 199 HH11 ARG 29 HH21 ARG 29 -14.643 1.815 1.025 200 HH12 ARG 29 HH22 ARG 29 -16.106 2.564 0.449 201 HH21 ARG 29 HH11 ARG 29 -17.425 -0.306 -0.908 202 HH22 ARG 29 HH12 ARG 29 -17.683 1.375 -0.516 203 H LYS 30 H LYS 30 -8.851 -3.448 -0.805 204 HA LYS 30 HA LYS 30 -7.149 -2.941 1.648 205 HB2 LYS 30 HB2 LYS 30 -8.114 -5.573 0.475 206 HB3 LYS 30 HB3 LYS 30 -7.015 -5.418 1.834 207 HG2 LYS 30 HG2 LYS 30 -9.917 -4.523 1.778 208 HG3 LYS 30 HG3 LYS 30 -9.283 -5.968 2.545 209 HD2 LYS 30 HD2 LYS 30 -8.022 -4.637 4.178 210 HD3 LYS 30 HD3 LYS 30 -8.483 -3.140 3.354 211 HE2 LYS 30 HE2 LYS 30 -9.915 -3.299 5.206 212 HE3 LYS 30 HE3 LYS 30 -10.889 -3.661 3.787 213 HZ1 LYS 30 HZ1 LYS 30 -9.787 -5.619 5.731 214 HZ2 LYS 30 HZ2 LYS 30 -11.364 -5.228 5.540 215 HZ3 LYS 30 HZ3 LYS 30 -10.617 -6.050 4.352 216 H CYS 31 H CYS 31 -4.982 -3.922 1.629 217 HA CYS 31 HA CYS 31 -3.744 -3.520 -1.085 218 HB2 CYS 31 HB2 CYS 31 -3.514 -1.475 -0.043 219 HB3 CYS 31 HB3 CYS 31 -3.415 -2.199 1.536 220 H LYS 32 H LYS 32 -2.262 -4.864 -1.744 221 HA LYS 32 HA LYS 32 -0.898 -6.754 0.158 222 HB2 LYS 32 HB2 LYS 32 -2.407 -7.788 -1.537 223 HB3 LYS 32 HB3 LYS 32 -1.442 -7.046 -2.815 224 HG2 LYS 32 HG2 LYS 32 0.587 -8.336 -1.776 225 HG3 LYS 32 HG3 LYS 32 -0.616 -9.182 -0.793 226 HD2 LYS 32 HD2 LYS 32 -0.193 -10.587 -2.682 227 HD3 LYS 32 HD3 LYS 32 -1.774 -9.835 -2.984 228 HE2 LYS 32 HE2 LYS 32 -0.471 -8.024 -4.280 229 HE3 LYS 32 HE3 LYS 32 0.943 -9.077 -4.167 230 HZ1 LYS 32 HZ1 LYS 32 -0.406 -9.336 -6.247 231 HZ2 LYS 32 HZ2 LYS 32 -0.320 -10.770 -5.404 232 HZ3 LYS 32 HZ3 LYS 32 -1.666 -9.843 -5.376 233 H CYS 33 H CYS 33 1.045 -6.046 0.635 234 HA CYS 33 HA CYS 33 2.580 -4.313 -1.190 235 HB2 CYS 33 HB2 CYS 33 3.298 -5.300 1.572 236 HB3 CYS 33 HB3 CYS 33 4.057 -3.975 0.690 237 H TYR 34 H TYR 34 4.044 -5.020 -2.602 238 HA TYR 34 HA TYR 34 4.171 -7.756 -3.274 239 HB2 TYR 34 HB2 TYR 34 5.788 -5.334 -4.124 240 HB3 TYR 34 HB3 TYR 34 6.138 -6.933 -4.722 241 HD1 TYR 34 HD1 TYR 34 2.552 -6.713 -4.454 242 HD2 TYR 34 HD2 TYR 34 5.974 -5.604 -6.851 243 HE1 TYR 34 HE1 TYR 34 1.126 -6.615 -6.477 244 HE2 TYR 34 HE2 TYR 34 4.531 -5.465 -8.857 245 HH TYR 34 HH TYR 34 2.444 -5.669 -9.681 246 H TYR 35 H TYR 35 6.897 -5.784 -2.134 247 HA TYR 35 HA TYR 35 8.382 -8.247 -1.340 248 HB2 TYR 35 HB2 TYR 35 9.513 -5.763 -2.593 249 HB3 TYR 35 HB3 TYR 35 10.318 -7.292 -2.411 250 HD1 TYR 35 HD1 TYR 35 8.457 -9.255 -3.635 251 HD2 TYR 35 HD2 TYR 35 9.392 -5.204 -4.820 252 HE1 TYR 35 HE1 TYR 35 7.701 -9.744 -5.952 253 HE2 TYR 35 HE2 TYR 35 8.621 -5.713 -7.116 254 HH TYR 35 HH TYR 35 7.256 -8.857 -8.103 255 H CYS 36 H CYS 36 6.848 -6.516 0.467 256 HA CYS 36 HA CYS 36 8.824 -5.760 2.479 257 HB2 CYS 36 HB2 CYS 36 9.121 -3.926 0.963 258 HB3 CYS 36 HB3 CYS 36 7.385 -3.719 0.760 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 3.254 -7.627 4.973 2 H2 ALA 1 H2 ALA 1 2.858 -7.087 6.486 3 H3 ALA 1 H3 ALA 1 3.549 -6.067 5.408 4 HA ALA 1 HA ALA 1 1.680 -6.107 3.978 5 HB1 ALA 1 HB1 ALA 1 0.486 -7.988 6.061 6 HB2 ALA 1 HB2 ALA 1 -0.329 -7.385 4.601 7 HB3 ALA 1 HB3 ALA 1 1.069 -8.456 4.445 8 H ALA 2 H ALA 2 -0.588 -5.065 4.588 9 HA ALA 2 HA ALA 2 -0.862 -4.046 7.279 10 HB1 ALA 2 HB1 ALA 2 0.676 -2.328 6.363 11 HB2 ALA 2 HB2 ALA 2 -0.431 -2.073 4.990 12 HB3 ALA 2 HB3 ALA 2 -0.941 -1.656 6.646 13 H ALA 3 H ALA 3 -2.973 -4.224 7.711 14 HA ALA 3 HA ALA 3 -4.923 -4.542 5.561 15 HB1 ALA 3 HB1 ALA 3 -6.408 -5.216 7.320 16 HB2 ALA 3 HB2 ALA 3 -4.851 -6.047 7.480 17 HB3 ALA 3 HB3 ALA 3 -5.243 -4.690 8.569 18 H ILE 4 H ILE 4 -4.635 -2.396 4.705 19 HA ILE 4 HA ILE 4 -6.175 -0.270 6.110 20 HB ILE 4 HB ILE 4 -4.694 1.370 4.950 21 HG12 ILE 4 HG12 ILE 4 -3.079 -1.105 4.266 22 HG13 ILE 4 HG13 ILE 4 -3.656 0.202 3.229 23 HG21 ILE 4 HG21 ILE 4 -2.994 1.387 6.649 24 HG22 ILE 4 HG22 ILE 4 -4.502 0.812 7.371 25 HG23 ILE 4 HG23 ILE 4 -3.218 -0.356 6.968 26 HD11 ILE 4 HD11 ILE 4 -1.275 0.374 3.538 27 HD12 ILE 4 HD12 ILE 4 -2.043 1.721 4.442 28 HD13 ILE 4 HD13 ILE 4 -1.414 0.298 5.294 29 H SER 5 H SER 5 -7.369 1.133 4.802 30 HA SER 5 HA SER 5 -8.340 -0.164 2.437 31 HB2 SER 5 HB2 SER 5 -10.007 1.329 2.248 32 HB3 SER 5 HB3 SER 5 -9.700 1.340 3.983 33 HG SER 5 HG SER 5 -9.997 3.395 3.120 34 H CYS 6 H CYS 6 -7.769 -0.085 0.519 35 HA CYS 6 HA CYS 6 -5.628 1.173 -0.775 36 HB2 CYS 6 HB2 CYS 6 -7.301 -0.590 -1.638 37 HB3 CYS 6 HB3 CYS 6 -8.341 0.785 -2.062 38 H VAL 7 H VAL 7 -8.889 2.538 -0.154 39 HA VAL 7 HA VAL 7 -8.680 4.994 -1.541 40 HB VAL 7 HB VAL 7 -10.057 4.583 1.145 41 HG11 VAL 7 HG11 VAL 7 -11.614 6.294 0.310 42 HG12 VAL 7 HG12 VAL 7 -9.974 6.930 0.410 43 HG13 VAL 7 HG13 VAL 7 -10.657 6.466 -1.170 44 HG21 VAL 7 HG21 VAL 7 -12.091 4.021 -0.153 45 HG22 VAL 7 HG22 VAL 7 -11.113 3.966 -1.633 46 HG23 VAL 7 HG23 VAL 7 -10.844 2.792 -0.325 47 H GLY 8 H GLY 8 -7.964 4.332 1.902 48 HA2 GLY 8 HA2 GLY 8 -6.888 5.635 3.516 49 HA3 GLY 8 HA3 GLY 8 -5.564 5.329 2.401 50 H SER 9 H SER 9 -4.338 6.955 2.294 51 HA SER 9 HA SER 9 -5.516 9.605 1.459 52 HB2 SER 9 HB2 SER 9 -4.648 10.067 3.537 53 HB3 SER 9 HB3 SER 9 -3.292 8.975 3.354 54 HG SER 9 HG SER 9 -3.686 11.515 2.110 55 HA PRO 10 HA PRO 10 -2.053 8.549 -1.705 56 HB2 PRO 10 HB2 PRO 10 -0.070 6.840 -1.154 57 HB3 PRO 10 HB3 PRO 10 -0.060 8.500 -0.497 58 HG2 PRO 10 HG2 PRO 10 -0.982 5.971 0.912 59 HG3 PRO 10 HG3 PRO 10 0.155 7.216 1.526 60 HD2 PRO 10 HD2 PRO 10 -2.506 7.159 2.114 61 HD3 PRO 10 HD3 PRO 10 -1.564 8.681 1.964 62 H GLU 11 H GLU 11 -1.224 6.042 -2.841 63 HA GLU 11 HA GLU 11 -3.847 4.689 -2.986 64 HB2 GLU 11 HB2 GLU 11 -1.407 4.326 -4.713 65 HB3 GLU 11 HB3 GLU 11 -2.968 3.535 -4.904 66 HG2 GLU 11 HG2 GLU 11 -4.037 5.838 -5.079 67 HG3 GLU 11 HG3 GLU 11 -2.410 6.513 -5.161 68 H CYS 12 H CYS 12 -0.472 3.326 -2.659 69 HA CYS 12 HA CYS 12 -1.514 1.597 -0.525 70 HB2 CYS 12 HB2 CYS 12 -2.376 0.443 -2.432 71 HB3 CYS 12 HB3 CYS 12 -0.814 0.377 -3.201 72 HA PRO 13 HA PRO 13 3.031 0.290 -0.814 73 HB2 PRO 13 HB2 PRO 13 4.807 1.989 -2.192 74 HB3 PRO 13 HB3 PRO 13 4.222 0.379 -2.676 75 HG2 PRO 13 HG2 PRO 13 3.304 3.076 -3.593 76 HG3 PRO 13 HG3 PRO 13 3.310 1.532 -4.486 77 HD2 PRO 13 HD2 PRO 13 1.057 2.684 -3.372 78 HD3 PRO 13 HD3 PRO 13 1.236 0.940 -3.627 79 HA PRO 14 HA PRO 14 4.819 4.196 1.138 80 HB2 PRO 14 HB2 PRO 14 3.538 6.579 1.279 81 HB3 PRO 14 HB3 PRO 14 4.421 6.051 -0.189 82 HG2 PRO 14 HG2 PRO 14 1.455 5.735 0.394 83 HG3 PRO 14 HG3 PRO 14 2.211 6.496 -1.049 84 HD2 PRO 14 HD2 PRO 14 1.334 3.947 -1.037 85 HD3 PRO 14 HD3 PRO 14 2.875 4.388 -1.869 86 H LYS 15 H LYS 15 1.449 3.469 1.648 87 HA LYS 15 HA LYS 15 1.365 4.452 4.450 88 HB2 LYS 15 HB2 LYS 15 -0.999 3.747 4.344 89 HB3 LYS 15 HB3 LYS 15 -0.533 4.979 3.182 90 HG2 LYS 15 HG2 LYS 15 -0.511 3.442 1.347 91 HG3 LYS 15 HG3 LYS 15 -0.609 2.062 2.420 92 HD2 LYS 15 HD2 LYS 15 -2.761 2.108 1.678 93 HD3 LYS 15 HD3 LYS 15 -2.975 3.142 3.090 94 HE2 LYS 15 HE2 LYS 15 -3.021 5.117 1.852 95 HE3 LYS 15 HE3 LYS 15 -2.170 4.397 0.477 96 HZ1 LYS 15 HZ1 LYS 15 -4.926 3.591 1.179 97 HZ2 LYS 15 HZ2 LYS 15 -4.500 4.739 0.029 98 HZ3 LYS 15 HZ3 LYS 15 -4.024 3.229 -0.168 99 H CYS 16 H CYS 16 2.102 1.438 2.922 100 HA CYS 16 HA CYS 16 1.232 -0.393 4.851 101 HB2 CYS 16 HB2 CYS 16 3.567 -0.381 2.916 102 HB3 CYS 16 HB3 CYS 16 3.216 -1.781 3.936 103 H ARG 17 H ARG 17 4.110 1.658 5.077 104 HA ARG 17 HA ARG 17 4.452 1.070 7.897 105 HB2 ARG 17 HB2 ARG 17 6.818 0.432 7.736 106 HB3 ARG 17 HB3 ARG 17 5.762 -0.758 6.941 107 HG2 ARG 17 HG2 ARG 17 6.370 0.112 4.732 108 HG3 ARG 17 HG3 ARG 17 7.332 1.393 5.483 109 HD2 ARG 17 HD2 ARG 17 8.739 -0.317 4.643 110 HD3 ARG 17 HD3 ARG 17 8.891 -0.217 6.401 111 HE ARG 17 HE ARG 17 7.121 -2.239 6.253 112 HH11 ARG 17 HH11 ARG 17 10.221 -1.904 4.643 113 HH12 ARG 17 HH12 ARG 17 10.231 -3.625 4.233 114 HH21 ARG 17 HH21 ARG 17 7.366 -4.361 5.861 115 HH22 ARG 17 HH22 ARG 17 8.753 -4.932 4.918 116 H ALA 18 H ALA 18 6.318 2.491 8.764 117 HA ALA 18 HA ALA 18 5.671 5.149 8.329 118 HB1 ALA 18 HB1 ALA 18 8.240 3.914 9.410 119 HB2 ALA 18 HB2 ALA 18 7.743 5.611 9.645 120 HB3 ALA 18 HB3 ALA 18 6.765 4.298 10.328 121 H GLN 19 H GLN 19 8.650 3.593 7.073 122 HA GLN 19 HA GLN 19 9.292 5.830 5.305 123 HB2 GLN 19 HB2 GLN 19 11.238 4.597 4.713 124 HB3 GLN 19 HB3 GLN 19 11.084 4.700 6.450 125 HG2 GLN 19 HG2 GLN 19 10.090 2.235 4.952 126 HG3 GLN 19 HG3 GLN 19 11.784 2.494 5.290 127 HE21 GLN 19 HE22 GLN 19 12.589 1.984 7.358 128 HE22 GLN 19 HE21 GLN 19 11.536 1.482 8.672 129 H GLY 20 H GLY 20 6.966 3.601 4.932 130 HA2 GLY 20 HA2 GLY 20 5.836 2.649 3.239 131 HA3 GLY 20 HA3 GLY 20 6.694 3.729 2.115 132 H CYS 21 H CYS 21 5.874 1.344 1.302 133 HA CYS 21 HA CYS 21 8.146 -0.552 1.345 134 HB2 CYS 21 HB2 CYS 21 5.203 -0.795 0.855 135 HB3 CYS 21 HB3 CYS 21 6.298 -2.025 0.246 136 H LYS 22 H LYS 22 8.973 -1.463 -0.471 137 HA LYS 22 HA LYS 22 9.576 -0.079 -2.736 138 HB2 LYS 22 HB2 LYS 22 9.174 -3.098 -2.729 139 HB3 LYS 22 HB3 LYS 22 10.204 -2.163 -3.810 140 HG2 LYS 22 HG2 LYS 22 11.488 -1.429 -1.680 141 HG3 LYS 22 HG3 LYS 22 10.586 -2.742 -0.864 142 HD2 LYS 22 HD2 LYS 22 11.468 -4.373 -2.436 143 HD3 LYS 22 HD3 LYS 22 12.336 -3.095 -3.304 144 HE2 LYS 22 HE2 LYS 22 14.013 -4.020 -2.002 145 HE3 LYS 22 HE3 LYS 22 13.525 -2.601 -1.074 146 HZ1 LYS 22 HZ1 LYS 22 12.097 -4.189 0.246 147 HZ2 LYS 22 HZ2 LYS 22 12.803 -5.444 -0.533 148 HZ3 LYS 22 HZ3 LYS 22 13.717 -4.443 0.397 149 H ASN 23 H ASN 23 6.766 -2.313 -2.657 150 HA ASN 23 HA ASN 23 5.385 -0.710 -4.644 151 HB2 ASN 23 HB2 ASN 23 6.891 -2.413 -5.951 152 HB3 ASN 23 HB3 ASN 23 5.762 -3.636 -5.360 153 HD21 ASN 23 HD22 ASN 23 6.024 -0.624 -7.302 154 HD22 ASN 23 HD21 ASN 23 4.654 -1.051 -8.318 155 H GLY 24 H GLY 24 3.164 -1.540 -5.018 156 HA2 GLY 24 HA2 GLY 24 1.945 -3.569 -3.567 157 HA3 GLY 24 HA3 GLY 24 1.762 -2.126 -2.561 158 H LYS 25 H LYS 25 -0.283 -3.714 -3.789 159 HA LYS 25 HA LYS 25 -1.770 -1.801 -5.528 160 HB2 LYS 25 HB2 LYS 25 -0.806 -4.581 -6.273 161 HB3 LYS 25 HB3 LYS 25 -2.202 -3.878 -7.064 162 HG2 LYS 25 HG2 LYS 25 -0.785 -1.876 -7.687 163 HG3 LYS 25 HG3 LYS 25 0.614 -2.736 -7.018 164 HD2 LYS 25 HD2 LYS 25 0.349 -4.526 -8.679 165 HD3 LYS 25 HD3 LYS 25 -1.078 -3.713 -9.342 166 HE2 LYS 25 HE2 LYS 25 0.851 -3.204 -10.731 167 HE3 LYS 25 HE3 LYS 25 0.311 -1.730 -9.907 168 HZ1 LYS 25 HZ1 LYS 25 2.139 -2.035 -8.315 169 HZ2 LYS 25 HZ2 LYS 25 2.608 -3.432 -9.074 170 HZ3 LYS 25 HZ3 LYS 25 2.752 -2.001 -9.816 171 H CYS 26 H CYS 26 -3.991 -2.918 -6.089 172 HA CYS 26 HA CYS 26 -5.104 -4.017 -3.527 173 HB2 CYS 26 HB2 CYS 26 -6.321 -1.883 -5.300 174 HB3 CYS 26 HB3 CYS 26 -6.947 -2.467 -3.764 175 H MET 27 H MET 27 -7.330 -4.877 -3.711 176 HA MET 27 HA MET 27 -8.088 -6.095 -6.329 177 HB2 MET 27 HB2 MET 27 -8.049 -7.606 -3.675 178 HB3 MET 27 HB3 MET 27 -8.522 -8.227 -5.250 179 HG2 MET 27 HG2 MET 27 -6.179 -7.919 -6.044 180 HG3 MET 27 HG3 MET 27 -5.741 -7.318 -4.431 181 HE1 MET 27 HE1 MET 27 -7.938 -10.458 -5.656 182 HE2 MET 27 HE2 MET 27 -6.468 -10.434 -6.660 183 HE3 MET 27 HE3 MET 27 -6.712 -11.729 -5.472 184 H ASN 28 H ASN 28 -9.064 -5.635 -2.931 185 HA ASN 28 HA ASN 28 -11.906 -5.106 -3.666 186 HB2 ASN 28 HB2 ASN 28 -11.436 -7.476 -2.974 187 HB3 ASN 28 HB3 ASN 28 -10.782 -6.866 -1.449 188 HD21 ASN 28 HD22 ASN 28 -12.467 -8.493 -0.779 189 HD22 ASN 28 HD21 ASN 28 -14.083 -7.874 -0.465 190 H ARG 29 H ARG 29 -10.801 -2.882 -3.486 191 HA ARG 29 HA ARG 29 -9.665 -1.197 -2.495 192 HB2 ARG 29 HB2 ARG 29 -11.267 0.145 -1.208 193 HB3 ARG 29 HB3 ARG 29 -11.850 -0.509 -2.710 194 HG2 ARG 29 HG2 ARG 29 -13.142 -2.260 -1.552 195 HG3 ARG 29 HG3 ARG 29 -12.463 -1.720 0.004 196 HD2 ARG 29 HD2 ARG 29 -14.611 -0.754 -0.164 197 HD3 ARG 29 HD3 ARG 29 -13.436 0.535 -0.444 198 HE ARG 29 HE ARG 29 -14.059 0.684 -2.713 199 HH11 ARG 29 HH11 ARG 29 -16.106 -1.721 -1.088 200 HH12 ARG 29 HH12 ARG 29 -17.187 -1.788 -2.456 201 HH21 ARG 29 HH21 ARG 29 -15.627 0.641 -4.307 202 HH22 ARG 29 HH22 ARG 29 -16.958 -0.468 -4.175 203 H LYS 30 H LYS 30 -8.613 -3.494 -1.250 204 HA LYS 30 HA LYS 30 -7.556 -2.274 1.301 205 HB2 LYS 30 HB2 LYS 30 -8.257 -5.136 0.577 206 HB3 LYS 30 HB3 LYS 30 -7.058 -4.772 1.817 207 HG2 LYS 30 HG2 LYS 30 -8.641 -3.604 3.181 208 HG3 LYS 30 HG3 LYS 30 -9.849 -3.568 1.886 209 HD2 LYS 30 HD2 LYS 30 -10.370 -5.227 3.622 210 HD3 LYS 30 HD3 LYS 30 -10.212 -5.931 2.008 211 HE2 LYS 30 HE2 LYS 30 -7.925 -6.724 2.564 212 HE3 LYS 30 HE3 LYS 30 -8.059 -6.002 4.179 213 HZ1 LYS 30 HZ1 LYS 30 -9.908 -7.493 4.625 214 HZ2 LYS 30 HZ2 LYS 30 -9.839 -8.145 3.136 215 HZ3 LYS 30 HZ3 LYS 30 -8.594 -8.379 4.185 216 H CYS 31 H CYS 31 -5.307 -2.521 1.714 217 HA CYS 31 HA CYS 31 -3.792 -2.530 -0.861 218 HB2 CYS 31 HB2 CYS 31 -3.712 -0.531 0.498 219 HB3 CYS 31 HB3 CYS 31 -3.254 -1.484 1.908 220 H LYS 32 H LYS 32 -2.451 -3.963 -1.512 221 HA LYS 32 HA LYS 32 -1.222 -5.904 0.403 222 HB2 LYS 32 HB2 LYS 32 -2.062 -6.321 -2.480 223 HB3 LYS 32 HB3 LYS 32 -1.066 -7.410 -1.517 224 HG2 LYS 32 HG2 LYS 32 -3.006 -7.358 0.226 225 HG3 LYS 32 HG3 LYS 32 -3.969 -6.637 -1.064 226 HD2 LYS 32 HD2 LYS 32 -4.431 -8.988 -1.004 227 HD3 LYS 32 HD3 LYS 32 -3.490 -8.679 -2.474 228 HE2 LYS 32 HE2 LYS 32 -1.449 -9.509 -1.390 229 HE3 LYS 32 HE3 LYS 32 -2.275 -9.622 0.169 230 HZ1 LYS 32 HZ1 LYS 32 -3.644 -11.383 -0.701 231 HZ2 LYS 32 HZ2 LYS 32 -2.983 -11.222 -2.221 232 HZ3 LYS 32 HZ3 LYS 32 -2.066 -11.768 -0.978 233 H CYS 33 H CYS 33 0.710 -5.065 0.875 234 HA CYS 33 HA CYS 33 2.451 -3.971 -1.246 235 HB2 CYS 33 HB2 CYS 33 2.681 -4.186 1.747 236 HB3 CYS 33 HB3 CYS 33 4.109 -3.935 0.739 237 H TYR 34 H TYR 34 4.096 -4.958 -2.222 238 HA TYR 34 HA TYR 34 3.896 -7.906 -2.201 239 HB2 TYR 34 HB2 TYR 34 5.113 -5.936 -4.165 240 HB3 TYR 34 HB3 TYR 34 5.031 -7.672 -4.393 241 HD1 TYR 34 HD1 TYR 34 1.870 -7.309 -3.096 242 HD2 TYR 34 HD2 TYR 34 4.223 -6.044 -6.488 243 HE1 TYR 34 HE1 TYR 34 -0.173 -7.284 -4.524 244 HE2 TYR 34 HE2 TYR 34 2.190 -6.134 -7.921 245 HH TYR 34 HH TYR 34 0.041 -6.798 -8.073 246 H TYR 35 H TYR 35 6.641 -5.594 -2.292 247 HA TYR 35 HA TYR 35 8.531 -7.887 -1.937 248 HB2 TYR 35 HB2 TYR 35 9.132 -5.298 -3.343 249 HB3 TYR 35 HB3 TYR 35 10.016 -6.806 -3.428 250 HD1 TYR 35 HD2 TYR 35 8.104 -8.864 -4.143 251 HD2 TYR 35 HD1 TYR 35 8.295 -4.745 -5.437 252 HE1 TYR 35 HE2 TYR 35 6.828 -9.440 -6.193 253 HE2 TYR 35 HE1 TYR 35 7.017 -5.327 -7.480 254 HH TYR 35 HH TYR 35 5.968 -6.977 -8.667 255 H CYS 36 H CYS 36 7.531 -6.253 0.397 256 HA CYS 36 HA CYS 36 10.142 -5.131 1.309 257 HB2 CYS 36 HB2 CYS 36 9.007 -3.293 2.104 258 HB3 CYS 36 HB3 CYS 36 8.384 -3.512 0.509 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 5.142 -6.565 4.842 2 H2 ALA 1 H2 ALA 1 4.220 -6.998 6.145 3 H3 ALA 1 H3 ALA 1 4.705 -5.424 5.930 4 HA ALA 1 HA ALA 1 3.422 -5.213 3.955 5 HB1 ALA 1 HB1 ALA 1 1.915 -6.967 3.235 6 HB2 ALA 1 HB2 ALA 1 3.516 -7.694 3.419 7 HB3 ALA 1 HB3 ALA 1 2.282 -7.946 4.666 8 H ALA 2 H ALA 2 0.963 -4.701 4.048 9 HA ALA 2 HA ALA 2 -0.251 -4.831 6.703 10 HB1 ALA 2 HB1 ALA 2 -0.430 -2.395 6.964 11 HB2 ALA 2 HB2 ALA 2 1.271 -2.866 6.903 12 HB3 ALA 2 HB3 ALA 2 0.498 -2.147 5.474 13 H ALA 3 H ALA 3 -2.355 -5.157 6.437 14 HA ALA 3 HA ALA 3 -3.605 -4.885 3.811 15 HB1 ALA 3 HB1 ALA 3 -3.773 -6.882 5.273 16 HB2 ALA 3 HB2 ALA 3 -4.673 -5.889 6.455 17 HB3 ALA 3 HB3 ALA 3 -5.346 -6.182 4.828 18 H ILE 4 H ILE 4 -3.315 -2.444 4.020 19 HA ILE 4 HA ILE 4 -5.006 -1.056 5.938 20 HB ILE 4 HB ILE 4 -3.905 0.971 5.081 21 HG12 ILE 4 HG12 ILE 4 -1.559 0.228 4.056 22 HG13 ILE 4 HG13 ILE 4 -2.490 -1.057 3.312 23 HG21 ILE 4 HG21 ILE 4 -2.127 -1.205 6.141 24 HG22 ILE 4 HG22 ILE 4 -1.867 0.573 6.190 25 HG23 ILE 4 HG23 ILE 4 -3.208 -0.161 7.100 26 HD11 ILE 4 HD11 ILE 4 -3.964 0.545 2.275 27 HD12 ILE 4 HD12 ILE 4 -3.160 1.853 3.178 28 HD13 ILE 4 HD13 ILE 4 -2.272 0.966 1.915 29 H SER 5 H SER 5 -6.395 0.596 5.438 30 HA SER 5 HA SER 5 -8.256 0.365 3.307 31 HB2 SER 5 HB2 SER 5 -7.464 2.831 4.898 32 HB3 SER 5 HB3 SER 5 -8.958 2.614 3.971 33 HG SER 5 HG SER 5 -8.689 2.146 6.443 34 H CYS 6 H CYS 6 -7.478 0.338 1.250 35 HA CYS 6 HA CYS 6 -5.495 1.976 0.067 36 HB2 CYS 6 HB2 CYS 6 -6.604 -0.131 -0.776 37 HB3 CYS 6 HB3 CYS 6 -7.987 0.862 -1.238 38 H VAL 7 H VAL 7 -8.773 2.826 0.905 39 HA VAL 7 HA VAL 7 -9.187 4.983 -0.954 40 HB VAL 7 HB VAL 7 -11.120 5.519 0.539 41 HG11 VAL 7 HG11 VAL 7 -12.359 3.484 0.053 42 HG12 VAL 7 HG12 VAL 7 -11.298 3.892 -1.302 43 HG13 VAL 7 HG13 VAL 7 -10.856 2.573 -0.193 44 HG21 VAL 7 HG21 VAL 7 -10.161 4.782 2.747 45 HG22 VAL 7 HG22 VAL 7 -11.733 4.077 2.376 46 HG23 VAL 7 HG23 VAL 7 -10.281 3.091 2.188 47 H GLY 8 H GLY 8 -7.485 4.955 2.036 48 HA2 GLY 8 HA2 GLY 8 -8.076 7.152 3.444 49 HA3 GLY 8 HA3 GLY 8 -6.433 6.570 3.196 50 H SER 9 H SER 9 -5.107 7.527 1.618 51 HA SER 9 HA SER 9 -6.015 9.976 0.228 52 HB2 SER 9 HB2 SER 9 -5.215 10.954 2.245 53 HB3 SER 9 HB3 SER 9 -3.779 9.931 2.270 54 HG SER 9 HG SER 9 -3.390 12.066 1.460 55 HA PRO 10 HA PRO 10 -2.460 7.883 -2.144 56 HB2 PRO 10 HB2 PRO 10 -0.677 6.239 -0.988 57 HB3 PRO 10 HB3 PRO 10 -0.480 8.022 -0.826 58 HG2 PRO 10 HG2 PRO 10 -1.759 6.078 1.097 59 HG3 PRO 10 HG3 PRO 10 -0.501 7.289 1.497 60 HD2 PRO 10 HD2 PRO 10 -3.198 7.727 1.890 61 HD3 PRO 10 HD3 PRO 10 -2.074 9.036 1.379 62 H GLU 11 H GLU 11 -2.159 5.519 -2.946 63 HA GLU 11 HA GLU 11 -4.411 3.838 -2.099 64 HB2 GLU 11 HB2 GLU 11 -2.343 3.591 -4.301 65 HB3 GLU 11 HB3 GLU 11 -3.410 2.273 -3.843 66 HG2 GLU 11 HG2 GLU 11 -4.587 3.263 -5.569 67 HG3 GLU 11 HG3 GLU 11 -5.397 3.840 -4.124 68 H CYS 12 H CYS 12 -1.105 2.654 -2.680 69 HA CYS 12 HA CYS 12 -1.502 0.979 -0.234 70 HB2 CYS 12 HB2 CYS 12 -2.212 -0.173 -2.160 71 HB3 CYS 12 HB3 CYS 12 -0.746 0.125 -3.027 72 HA PRO 13 HA PRO 13 3.079 0.371 -0.518 73 HB2 PRO 13 HB2 PRO 13 4.690 2.041 -2.119 74 HB3 PRO 13 HB3 PRO 13 4.185 0.368 -2.444 75 HG2 PRO 13 HG2 PRO 13 3.014 2.912 -3.521 76 HG3 PRO 13 HG3 PRO 13 3.164 1.311 -4.301 77 HD2 PRO 13 HD2 PRO 13 0.789 2.225 -3.256 78 HD3 PRO 13 HD3 PRO 13 1.258 0.513 -3.285 79 HA PRO 14 HA PRO 14 4.534 4.512 1.246 80 HB2 PRO 14 HB2 PRO 14 3.204 6.846 1.029 81 HB3 PRO 14 HB3 PRO 14 4.201 6.204 -0.315 82 HG2 PRO 14 HG2 PRO 14 1.219 5.870 0.108 83 HG3 PRO 14 HG3 PRO 14 2.037 6.506 -1.358 84 HD2 PRO 14 HD2 PRO 14 1.286 3.898 -1.181 85 HD3 PRO 14 HD3 PRO 14 2.843 4.356 -1.932 86 H LYS 15 H LYS 15 1.229 3.486 1.555 87 HA LYS 15 HA LYS 15 1.003 4.553 4.336 88 HB2 LYS 15 HB2 LYS 15 -0.844 4.671 2.458 89 HB3 LYS 15 HB3 LYS 15 -1.177 3.007 2.954 90 HG2 LYS 15 HG2 LYS 15 -1.325 3.973 5.364 91 HG3 LYS 15 HG3 LYS 15 -1.248 5.561 4.605 92 HD2 LYS 15 HD2 LYS 15 -3.496 3.529 4.438 93 HD3 LYS 15 HD3 LYS 15 -3.471 5.118 5.137 94 HE2 LYS 15 HE2 LYS 15 -4.551 5.673 3.261 95 HE3 LYS 15 HE3 LYS 15 -2.908 5.930 2.688 96 HZ1 LYS 15 HZ1 LYS 15 -4.645 3.579 2.173 97 HZ2 LYS 15 HZ2 LYS 15 -4.163 4.678 1.059 98 HZ3 LYS 15 HZ3 LYS 15 -3.085 3.638 1.652 99 H CYS 16 H CYS 16 2.000 1.771 2.730 100 HA CYS 16 HA CYS 16 1.003 -0.252 4.484 101 HB2 CYS 16 HB2 CYS 16 1.461 -0.444 2.095 102 HB3 CYS 16 HB3 CYS 16 3.180 -0.237 2.371 103 H ARG 17 H ARG 17 3.725 1.829 4.896 104 HA ARG 17 HA ARG 17 4.436 0.650 7.418 105 HB2 ARG 17 HB2 ARG 17 6.815 0.230 6.882 106 HB3 ARG 17 HB3 ARG 17 5.690 -0.851 6.068 107 HG2 ARG 17 HG2 ARG 17 6.053 0.107 3.947 108 HG3 ARG 17 HG3 ARG 17 6.845 1.536 4.637 109 HD2 ARG 17 HD2 ARG 17 8.459 -0.063 3.622 110 HD3 ARG 17 HD3 ARG 17 8.749 0.281 5.321 111 HE ARG 17 HE ARG 17 7.178 -2.169 4.791 112 HH11 ARG 17 HH11 ARG 17 10.446 -0.933 5.538 113 HH12 ARG 17 HH12 ARG 17 10.806 -2.447 6.335 114 HH21 ARG 17 HH21 ARG 17 8.029 -4.131 5.548 115 HH22 ARG 17 HH22 ARG 17 9.592 -4.069 6.328 116 H ALA 18 H ALA 18 6.536 1.873 8.233 117 HA ALA 18 HA ALA 18 5.735 4.387 8.874 118 HB1 ALA 18 HB1 ALA 18 8.027 4.696 9.733 119 HB2 ALA 18 HB2 ALA 18 7.442 3.057 10.040 120 HB3 ALA 18 HB3 ALA 18 8.601 3.355 8.728 121 H GLN 19 H GLN 19 8.104 3.802 6.236 122 HA GLN 19 HA GLN 19 7.772 6.638 5.348 123 HB2 GLN 19 HB2 GLN 19 10.045 6.349 4.317 124 HB3 GLN 19 HB3 GLN 19 9.869 6.695 6.028 125 HG2 GLN 19 HG2 GLN 19 11.615 5.047 5.525 126 HG3 GLN 19 HG3 GLN 19 10.420 4.460 6.673 127 HE21 GLN 19 HE22 GLN 19 11.480 4.192 3.249 128 HE22 GLN 19 HE21 GLN 19 10.590 2.691 2.965 129 H GLY 20 H GLY 20 7.993 3.305 4.139 130 HA2 GLY 20 HA2 GLY 20 6.026 3.323 2.324 131 HA3 GLY 20 HA3 GLY 20 7.301 4.148 1.414 132 H CYS 21 H CYS 21 5.847 1.531 1.194 133 HA CYS 21 HA CYS 21 7.630 -0.679 1.684 134 HB2 CYS 21 HB2 CYS 21 5.126 -0.701 1.543 135 HB3 CYS 21 HB3 CYS 21 5.266 -0.406 -0.191 136 H LYS 22 H LYS 22 8.409 -2.137 0.032 137 HA LYS 22 HA LYS 22 9.884 -1.002 -2.139 138 HB2 LYS 22 HB2 LYS 22 9.099 -3.887 -1.693 139 HB3 LYS 22 HB3 LYS 22 10.328 -3.300 -2.827 140 HG2 LYS 22 HG2 LYS 22 11.445 -2.220 -0.717 141 HG3 LYS 22 HG3 LYS 22 10.387 -3.310 0.202 142 HD2 LYS 22 HD2 LYS 22 11.361 -5.249 -1.019 143 HD3 LYS 22 HD3 LYS 22 12.426 -4.139 -1.885 144 HE2 LYS 22 HE2 LYS 22 13.780 -5.009 -0.181 145 HE3 LYS 22 HE3 LYS 22 13.320 -3.403 0.392 146 HZ1 LYS 22 HZ1 LYS 22 11.541 -4.574 1.721 147 HZ2 LYS 22 HZ2 LYS 22 12.177 -6.012 1.291 148 HZ3 LYS 22 HZ3 LYS 22 13.052 -4.943 2.183 149 H ASN 23 H ASN 23 6.899 -3.030 -2.388 150 HA ASN 23 HA ASN 23 5.785 -1.240 -4.344 151 HB2 ASN 23 HB2 ASN 23 7.443 -2.750 -5.687 152 HB3 ASN 23 HB3 ASN 23 6.272 -4.041 -5.425 153 HD21 ASN 23 HD22 ASN 23 6.934 -3.340 -8.008 154 HD22 ASN 23 HD21 ASN 23 5.512 -2.544 -8.702 155 H GLY 24 H GLY 24 3.590 -2.116 -5.096 156 HA2 GLY 24 HA2 GLY 24 2.181 -4.183 -3.767 157 HA3 GLY 24 HA3 GLY 24 1.935 -2.690 -2.850 158 H LYS 25 H LYS 25 -0.203 -3.948 -3.889 159 HA LYS 25 HA LYS 25 -1.349 -1.963 -5.764 160 HB2 LYS 25 HB2 LYS 25 -1.124 -4.955 -6.293 161 HB3 LYS 25 HB3 LYS 25 -2.485 -4.036 -6.913 162 HG2 LYS 25 HG2 LYS 25 -0.775 -2.400 -7.924 163 HG3 LYS 25 HG3 LYS 25 0.449 -3.639 -7.577 164 HD2 LYS 25 HD2 LYS 25 -0.803 -5.266 -8.962 165 HD3 LYS 25 HD3 LYS 25 -2.075 -4.057 -9.242 166 HE2 LYS 25 HE2 LYS 25 -0.310 -2.527 -10.210 167 HE3 LYS 25 HE3 LYS 25 0.838 -3.870 -10.113 168 HZ1 LYS 25 HZ1 LYS 25 -1.686 -3.840 -11.689 169 HZ2 LYS 25 HZ2 LYS 25 -0.163 -3.713 -12.298 170 HZ3 LYS 25 HZ3 LYS 25 -0.653 -5.123 -11.620 171 H CYS 26 H CYS 26 -3.754 -2.088 -5.849 172 HA CYS 26 HA CYS 26 -4.928 -3.289 -3.378 173 HB2 CYS 26 HB2 CYS 26 -5.909 -0.940 -5.022 174 HB3 CYS 26 HB3 CYS 26 -6.726 -1.628 -3.618 175 H MET 27 H MET 27 -6.881 -4.395 -3.417 176 HA MET 27 HA MET 27 -7.573 -5.592 -6.079 177 HB2 MET 27 HB2 MET 27 -8.058 -6.854 -3.371 178 HB3 MET 27 HB3 MET 27 -8.195 -7.590 -4.959 179 HG2 MET 27 HG2 MET 27 -5.633 -6.661 -3.604 180 HG3 MET 27 HG3 MET 27 -6.177 -8.320 -3.816 181 HE1 MET 27 HE1 MET 27 -3.200 -7.316 -4.660 182 HE2 MET 27 HE2 MET 27 -3.843 -8.974 -4.693 183 HE3 MET 27 HE3 MET 27 -3.060 -8.292 -6.134 184 H ASN 28 H ASN 28 -9.224 -4.775 -3.002 185 HA ASN 28 HA ASN 28 -11.683 -4.010 -4.537 186 HB2 ASN 28 HB2 ASN 28 -12.242 -6.066 -3.520 187 HB3 ASN 28 HB3 ASN 28 -11.366 -5.693 -2.050 188 HD21 ASN 28 HD22 ASN 28 -12.706 -5.304 -0.353 189 HD22 ASN 28 HD21 ASN 28 -14.249 -4.467 -0.464 190 H ARG 29 H ARG 29 -10.741 -3.633 -1.102 191 HA ARG 29 HA ARG 29 -10.288 -0.738 -1.575 192 HB2 ARG 29 HB2 ARG 29 -11.498 -0.048 0.416 193 HB3 ARG 29 HB3 ARG 29 -12.551 -0.732 -0.792 194 HG2 ARG 29 HG2 ARG 29 -12.785 -2.810 0.498 195 HG3 ARG 29 HG3 ARG 29 -11.491 -2.318 1.583 196 HD2 ARG 29 HD2 ARG 29 -13.481 -1.933 2.782 197 HD3 ARG 29 HD3 ARG 29 -12.914 -0.336 2.261 198 HE ARG 29 HE ARG 29 -14.799 -1.480 0.370 199 HH11 ARG 29 HH11 ARG 29 -14.688 0.279 3.424 200 HH12 ARG 29 HH12 ARG 29 -16.304 0.912 3.217 201 HH21 ARG 29 HH21 ARG 29 -16.935 -0.999 0.395 202 HH22 ARG 29 HH22 ARG 29 -17.593 0.103 1.567 203 H LYS 30 H LYS 30 -8.872 -3.459 -0.609 204 HA LYS 30 HA LYS 30 -7.136 -2.043 1.367 205 HB2 LYS 30 HB2 LYS 30 -7.913 -4.965 1.191 206 HB3 LYS 30 HB3 LYS 30 -6.458 -4.410 2.030 207 HG2 LYS 30 HG2 LYS 30 -7.853 -2.886 3.423 208 HG3 LYS 30 HG3 LYS 30 -9.311 -3.553 2.656 209 HD2 LYS 30 HD2 LYS 30 -8.803 -5.786 3.526 210 HD3 LYS 30 HD3 LYS 30 -7.207 -5.245 4.054 211 HE2 LYS 30 HE2 LYS 30 -8.858 -3.440 5.346 212 HE3 LYS 30 HE3 LYS 30 -9.853 -4.907 5.352 213 HZ1 LYS 30 HZ1 LYS 30 -7.839 -6.058 6.286 214 HZ2 LYS 30 HZ2 LYS 30 -7.103 -4.584 6.417 215 HZ3 LYS 30 HZ3 LYS 30 -8.450 -4.919 7.287 216 H CYS 31 H CYS 31 -5.035 -2.630 1.434 217 HA CYS 31 HA CYS 31 -3.698 -2.703 -1.223 218 HB2 CYS 31 HB2 CYS 31 -3.227 -0.756 0.031 219 HB3 CYS 31 HB3 CYS 31 -3.196 -1.655 1.524 220 H LYS 32 H LYS 32 -2.425 -4.353 -1.804 221 HA LYS 32 HA LYS 32 -1.450 -6.329 0.178 222 HB2 LYS 32 HB2 LYS 32 -3.097 -7.380 -1.197 223 HB3 LYS 32 HB3 LYS 32 -2.499 -6.598 -2.657 224 HG2 LYS 32 HG2 LYS 32 -1.919 -8.998 -2.561 225 HG3 LYS 32 HG3 LYS 32 -0.519 -7.933 -2.691 226 HD2 LYS 32 HD2 LYS 32 -0.266 -8.165 -0.128 227 HD3 LYS 32 HD3 LYS 32 -1.468 -9.469 -0.229 228 HE2 LYS 32 HE2 LYS 32 -0.056 -10.784 -1.593 229 HE3 LYS 32 HE3 LYS 32 0.897 -9.366 -2.097 230 HZ1 LYS 32 HZ1 LYS 32 1.926 -9.240 -0.034 231 HZ2 LYS 32 HZ2 LYS 32 0.911 -10.315 0.704 232 HZ3 LYS 32 HZ3 LYS 32 2.028 -10.828 -0.401 233 H CYS 33 H CYS 33 0.494 -5.618 0.614 234 HA CYS 33 HA CYS 33 2.339 -4.486 -1.340 235 HB2 CYS 33 HB2 CYS 33 2.490 -5.230 1.583 236 HB3 CYS 33 HB3 CYS 33 3.884 -4.628 0.688 237 H TYR 34 H TYR 34 4.246 -5.358 -2.078 238 HA TYR 34 HA TYR 34 4.050 -8.263 -2.595 239 HB2 TYR 34 HB2 TYR 34 5.636 -6.017 -3.884 240 HB3 TYR 34 HB3 TYR 34 5.760 -7.707 -4.335 241 HD1 TYR 34 HD1 TYR 34 2.243 -6.952 -3.719 242 HD2 TYR 34 HD2 TYR 34 5.479 -6.561 -6.554 243 HE1 TYR 34 HE1 TYR 34 0.608 -6.744 -5.573 244 HE2 TYR 34 HE2 TYR 34 3.838 -6.380 -8.393 245 HH TYR 34 HH TYR 34 1.664 -6.546 -8.990 246 H TYR 35 H TYR 35 6.644 -5.974 -1.652 247 HA TYR 35 HA TYR 35 8.304 -8.307 -0.763 248 HB2 TYR 35 HB2 TYR 35 9.441 -5.942 -2.226 249 HB3 TYR 35 HB3 TYR 35 10.203 -7.481 -1.876 250 HD1 TYR 35 HD2 TYR 35 8.772 -9.583 -2.882 251 HD2 TYR 35 HD1 TYR 35 8.862 -5.577 -4.465 252 HE1 TYR 35 HE2 TYR 35 8.007 -10.437 -5.096 253 HE2 TYR 35 HE1 TYR 35 8.118 -6.429 -6.674 254 HH TYR 35 HH TYR 35 7.451 -8.226 -7.865 255 H CYS 36 H CYS 36 6.745 -6.316 0.956 256 HA CYS 36 HA CYS 36 8.979 -5.698 2.786 257 HB2 CYS 36 HB2 CYS 36 8.384 -3.513 2.916 258 HB3 CYS 36 HB3 CYS 36 8.244 -3.787 1.216 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 3.519 -7.012 5.105 2 H2 ALA 1 H2 ALA 1 3.183 -6.243 6.512 3 H3 ALA 1 H3 ALA 1 3.436 -5.388 5.116 4 HA ALA 1 HA ALA 1 1.400 -5.934 4.209 5 HB1 ALA 1 HB1 ALA 1 1.692 -8.355 4.524 6 HB2 ALA 1 HB2 ALA 1 1.313 -8.193 6.246 7 HB3 ALA 1 HB3 ALA 1 0.070 -7.849 5.035 8 H ALA 2 H ALA 2 -0.638 -4.855 4.872 9 HA ALA 2 HA ALA 2 -1.027 -4.350 7.708 10 HB1 ALA 2 HB1 ALA 2 -0.559 -2.037 5.769 11 HB2 ALA 2 HB2 ALA 2 -1.049 -1.904 7.474 12 HB3 ALA 2 HB3 ALA 2 0.565 -2.519 7.063 13 H ALA 3 H ALA 3 -3.174 -4.272 8.078 14 HA ALA 3 HA ALA 3 -4.979 -4.586 5.759 15 HB1 ALA 3 HB1 ALA 3 -6.602 -5.183 7.428 16 HB2 ALA 3 HB2 ALA 3 -5.108 -6.158 7.549 17 HB3 ALA 3 HB3 ALA 3 -5.412 -4.838 8.716 18 H ILE 4 H ILE 4 -5.192 -2.636 4.837 19 HA ILE 4 HA ILE 4 -6.295 -0.359 6.450 20 HB ILE 4 HB ILE 4 -4.850 1.094 5.054 21 HG12 ILE 4 HG12 ILE 4 -3.494 -1.473 4.103 22 HG13 ILE 4 HG13 ILE 4 -4.642 -0.568 3.121 23 HG21 ILE 4 HG21 ILE 4 -4.136 0.234 7.322 24 HG22 ILE 4 HG22 ILE 4 -3.170 -1.001 6.481 25 HG23 ILE 4 HG23 ILE 4 -2.812 0.727 6.281 26 HD11 ILE 4 HD11 ILE 4 -3.236 1.369 3.076 27 HD12 ILE 4 HD12 ILE 4 -2.085 0.575 4.214 28 HD13 ILE 4 HD13 ILE 4 -2.300 -0.070 2.599 29 H SER 5 H SER 5 -7.096 1.422 4.925 30 HA SER 5 HA SER 5 -8.718 0.223 2.744 31 HB2 SER 5 HB2 SER 5 -9.819 1.937 4.104 32 HB3 SER 5 HB3 SER 5 -8.571 3.112 3.595 33 HG SER 5 HG SER 5 -10.696 2.860 2.375 34 H CYS 6 H CYS 6 -7.949 0.150 0.777 35 HA CYS 6 HA CYS 6 -5.564 1.410 -0.237 36 HB2 CYS 6 HB2 CYS 6 -6.781 -0.414 -1.359 37 HB3 CYS 6 HB3 CYS 6 -8.147 0.695 -1.610 38 H VAL 7 H VAL 7 -8.916 2.625 0.115 39 HA VAL 7 HA VAL 7 -8.708 4.877 -1.644 40 HB VAL 7 HB VAL 7 -10.533 4.610 0.777 41 HG11 VAL 7 HG11 VAL 7 -10.792 6.178 -1.825 42 HG12 VAL 7 HG12 VAL 7 -12.028 6.063 -0.552 43 HG13 VAL 7 HG13 VAL 7 -10.495 6.866 -0.209 44 HG21 VAL 7 HG21 VAL 7 -10.958 3.629 -2.086 45 HG22 VAL 7 HG22 VAL 7 -10.843 2.611 -0.632 46 HG23 VAL 7 HG23 VAL 7 -12.210 3.703 -0.825 47 H GLY 8 H GLY 8 -8.497 4.623 1.885 48 HA2 GLY 8 HA2 GLY 8 -7.778 6.244 3.501 49 HA3 GLY 8 HA3 GLY 8 -6.296 5.733 2.679 50 H SER 9 H SER 9 -5.042 7.079 1.789 51 HA SER 9 HA SER 9 -6.097 9.582 0.617 52 HB2 SER 9 HB2 SER 9 -5.439 10.366 2.744 53 HB3 SER 9 HB3 SER 9 -3.878 9.576 2.676 54 HG SER 9 HG SER 9 -3.263 11.014 1.006 55 HA PRO 10 HA PRO 10 -2.360 7.985 -1.861 56 HB2 PRO 10 HB2 PRO 10 -0.426 6.464 -0.823 57 HB3 PRO 10 HB3 PRO 10 -0.432 8.228 -0.468 58 HG2 PRO 10 HG2 PRO 10 -1.557 5.964 1.213 59 HG3 PRO 10 HG3 PRO 10 -0.411 7.224 1.766 60 HD2 PRO 10 HD2 PRO 10 -3.131 7.423 2.125 61 HD3 PRO 10 HD3 PRO 10 -2.111 8.860 1.756 62 H GLU 11 H GLU 11 -1.828 5.663 -2.813 63 HA GLU 11 HA GLU 11 -4.169 4.011 -2.351 64 HB2 GLU 11 HB2 GLU 11 -1.913 3.475 -4.294 65 HB3 GLU 11 HB3 GLU 11 -3.496 2.688 -4.208 66 HG2 GLU 11 HG2 GLU 11 -4.522 5.034 -4.447 67 HG3 GLU 11 HG3 GLU 11 -2.909 5.595 -4.892 68 H CYS 12 H CYS 12 -0.736 2.829 -2.364 69 HA CYS 12 HA CYS 12 -1.518 1.035 -0.107 70 HB2 CYS 12 HB2 CYS 12 -2.341 -0.107 -1.983 71 HB3 CYS 12 HB3 CYS 12 -0.871 0.103 -2.892 72 HA PRO 13 HA PRO 13 3.093 0.065 -0.379 73 HB2 PRO 13 HB2 PRO 13 4.727 1.805 -1.923 74 HB3 PRO 13 HB3 PRO 13 4.279 0.114 -2.258 75 HG2 PRO 13 HG2 PRO 13 3.059 2.639 -3.338 76 HG3 PRO 13 HG3 PRO 13 3.256 1.058 -4.140 77 HD2 PRO 13 HD2 PRO 13 0.856 1.880 -3.152 78 HD3 PRO 13 HD3 PRO 13 1.355 0.184 -3.090 79 HA PRO 14 HA PRO 14 4.501 4.172 1.564 80 HB2 PRO 14 HB2 PRO 14 3.153 6.496 1.348 81 HB3 PRO 14 HB3 PRO 14 4.245 5.913 0.054 82 HG2 PRO 14 HG2 PRO 14 1.244 5.545 0.257 83 HG3 PRO 14 HG3 PRO 14 2.161 6.225 -1.135 84 HD2 PRO 14 HD2 PRO 14 1.400 3.612 -1.034 85 HD3 PRO 14 HD3 PRO 14 2.983 4.097 -1.722 86 H LYS 15 H LYS 15 1.206 3.084 1.617 87 HA LYS 15 HA LYS 15 0.746 4.106 4.374 88 HB2 LYS 15 HB2 LYS 15 -0.978 4.295 2.522 89 HB3 LYS 15 HB3 LYS 15 -1.251 2.559 2.722 90 HG2 LYS 15 HG2 LYS 15 -1.738 3.019 5.183 91 HG3 LYS 15 HG3 LYS 15 -1.457 4.725 4.863 92 HD2 LYS 15 HD2 LYS 15 -3.865 3.066 4.189 93 HD3 LYS 15 HD3 LYS 15 -3.716 4.606 4.963 94 HE2 LYS 15 HE2 LYS 15 -4.497 5.387 3.032 95 HE3 LYS 15 HE3 LYS 15 -2.804 5.391 2.587 96 HZ1 LYS 15 HZ1 LYS 15 -4.168 4.347 0.855 97 HZ2 LYS 15 HZ2 LYS 15 -3.203 3.212 1.448 98 HZ3 LYS 15 HZ3 LYS 15 -4.786 3.258 1.909 99 H CYS 16 H CYS 16 1.681 1.178 2.721 100 HA CYS 16 HA CYS 16 0.953 -0.632 4.826 101 HB2 CYS 16 HB2 CYS 16 1.304 -1.147 2.393 102 HB3 CYS 16 HB3 CYS 16 3.049 -1.085 2.674 103 H ARG 17 H ARG 17 3.641 1.524 4.632 104 HA ARG 17 HA ARG 17 4.344 0.998 7.341 105 HB2 ARG 17 HB2 ARG 17 6.719 0.558 7.035 106 HB3 ARG 17 HB3 ARG 17 5.721 -0.746 6.387 107 HG2 ARG 17 HG2 ARG 17 6.093 0.122 4.081 108 HG3 ARG 17 HG3 ARG 17 7.057 1.450 4.748 109 HD2 ARG 17 HD2 ARG 17 8.489 -0.242 3.877 110 HD3 ARG 17 HD3 ARG 17 8.706 -0.123 5.625 111 HE ARG 17 HE ARG 17 6.762 -2.112 5.261 112 HH11 ARG 17 HH11 ARG 17 10.097 -1.865 4.182 113 HH12 ARG 17 HH12 ARG 17 10.313 -3.600 4.255 114 HH21 ARG 17 HH21 ARG 17 7.267 -4.161 5.705 115 HH22 ARG 17 HH22 ARG 17 8.598 -4.898 4.845 116 H ALA 18 H ALA 18 5.983 2.503 8.099 117 HA ALA 18 HA ALA 18 5.084 5.096 7.579 118 HB1 ALA 18 HB1 ALA 18 7.631 4.105 8.937 119 HB2 ALA 18 HB2 ALA 18 6.955 5.746 9.113 120 HB3 ALA 18 HB3 ALA 18 6.042 4.336 9.692 121 H GLN 19 H GLN 19 8.198 3.714 6.603 122 HA GLN 19 HA GLN 19 8.974 6.032 4.948 123 HB2 GLN 19 HB2 GLN 19 11.126 4.985 4.827 124 HB3 GLN 19 HB3 GLN 19 10.593 5.196 6.489 125 HG2 GLN 19 HG2 GLN 19 10.250 2.550 5.010 126 HG3 GLN 19 HG3 GLN 19 11.726 3.021 5.833 127 HE21 GLN 19 HE22 GLN 19 11.572 3.484 8.265 128 HE22 GLN 19 HE21 GLN 19 10.251 2.749 9.140 129 H GLY 20 H GLY 20 6.984 3.682 4.297 130 HA2 GLY 20 HA2 GLY 20 6.011 2.955 2.406 131 HA3 GLY 20 HA3 GLY 20 7.169 3.868 1.433 132 H CYS 21 H CYS 21 5.859 1.122 1.403 133 HA CYS 21 HA CYS 21 7.990 -0.854 1.312 134 HB2 CYS 21 HB2 CYS 21 5.134 -0.671 0.470 135 HB3 CYS 21 HB3 CYS 21 6.123 -1.863 -0.334 136 H LYS 22 H LYS 22 8.989 -1.683 -0.489 137 HA LYS 22 HA LYS 22 9.902 0.033 -2.529 138 HB2 LYS 22 HB2 LYS 22 9.695 -3.000 -2.725 139 HB3 LYS 22 HB3 LYS 22 10.767 -1.953 -3.660 140 HG2 LYS 22 HG2 LYS 22 11.954 -1.296 -1.566 141 HG3 LYS 22 HG3 LYS 22 10.865 -2.371 -0.653 142 HD2 LYS 22 HD2 LYS 22 11.614 -4.266 -2.086 143 HD3 LYS 22 HD3 LYS 22 12.817 -3.199 -2.809 144 HE2 LYS 22 HE2 LYS 22 13.806 -4.649 -1.112 145 HE3 LYS 22 HE3 LYS 22 13.951 -2.947 -0.659 146 HZ1 LYS 22 HZ1 LYS 22 11.830 -4.734 0.391 147 HZ2 LYS 22 HZ2 LYS 22 13.259 -4.446 1.168 148 HZ3 LYS 22 HZ3 LYS 22 12.252 -3.191 0.912 149 H ASN 23 H ASN 23 7.183 -2.247 -2.705 150 HA ASN 23 HA ASN 23 5.757 -0.526 -4.462 151 HB2 ASN 23 HB2 ASN 23 7.336 -1.967 -6.033 152 HB3 ASN 23 HB3 ASN 23 6.196 -3.261 -5.716 153 HD21 ASN 23 HD22 ASN 23 6.530 -2.418 -8.287 154 HD22 ASN 23 HD21 ASN 23 5.092 -1.533 -8.784 155 H GLY 24 H GLY 24 3.566 -1.483 -5.002 156 HA2 GLY 24 HA2 GLY 24 2.556 -3.760 -3.521 157 HA3 GLY 24 HA3 GLY 24 2.016 -2.226 -2.820 158 H LYS 25 H LYS 25 0.005 -3.650 -3.600 159 HA LYS 25 HA LYS 25 -0.980 -2.307 -6.058 160 HB2 LYS 25 HB2 LYS 25 -0.011 -4.666 -6.502 161 HB3 LYS 25 HB3 LYS 25 -1.452 -5.288 -5.696 162 HG2 LYS 25 HG2 LYS 25 -2.867 -4.114 -7.364 163 HG3 LYS 25 HG3 LYS 25 -1.405 -3.389 -8.075 164 HD2 LYS 25 HD2 LYS 25 -0.566 -5.637 -8.651 165 HD3 LYS 25 HD3 LYS 25 -2.057 -6.367 -8.034 166 HE2 LYS 25 HE2 LYS 25 -1.891 -4.334 -10.311 167 HE3 LYS 25 HE3 LYS 25 -1.876 -6.082 -10.544 168 HZ1 LYS 25 HZ1 LYS 25 -4.081 -6.139 -9.440 169 HZ2 LYS 25 HZ2 LYS 25 -4.114 -4.493 -9.428 170 HZ3 LYS 25 HZ3 LYS 25 -4.068 -5.309 -10.856 171 H CYS 26 H CYS 26 -3.100 -1.822 -6.113 172 HA CYS 26 HA CYS 26 -4.600 -1.994 -3.599 173 HB2 CYS 26 HB2 CYS 26 -4.463 0.053 -4.968 174 HB3 CYS 26 HB3 CYS 26 -5.300 -0.785 -6.271 175 H MET 27 H MET 27 -6.010 -3.426 -3.110 176 HA MET 27 HA MET 27 -7.146 -5.449 -4.960 177 HB2 MET 27 HB2 MET 27 -7.362 -5.084 -1.955 178 HB3 MET 27 HB3 MET 27 -7.815 -6.523 -2.847 179 HG2 MET 27 HG2 MET 27 -5.511 -7.066 -3.316 180 HG3 MET 27 HG3 MET 27 -4.951 -5.490 -2.737 181 HE1 MET 27 HE1 MET 27 -6.366 -8.953 -0.019 182 HE2 MET 27 HE2 MET 27 -7.526 -8.111 -1.066 183 HE3 MET 27 HE3 MET 27 -6.191 -9.036 -1.784 184 H ASN 28 H ASN 28 -9.612 -5.861 -3.645 185 HA ASN 28 HA ASN 28 -11.254 -3.558 -4.387 186 HB2 ASN 28 HB2 ASN 28 -11.932 -5.983 -4.636 187 HB3 ASN 28 HB3 ASN 28 -12.079 -6.068 -2.878 188 HD21 ASN 28 HD22 ASN 28 -14.263 -6.628 -4.370 189 HD22 ASN 28 HD21 ASN 28 -15.407 -5.279 -4.373 190 H ARG 29 H ARG 29 -10.865 -1.867 -3.238 191 HA ARG 29 HA ARG 29 -9.942 -0.548 -1.751 192 HB2 ARG 29 HB2 ARG 29 -11.530 -0.008 0.153 193 HB3 ARG 29 HB3 ARG 29 -12.135 0.017 -1.493 194 HG2 ARG 29 HG2 ARG 29 -13.291 -2.065 -1.248 195 HG3 ARG 29 HG3 ARG 29 -12.569 -2.368 0.345 196 HD2 ARG 29 HD2 ARG 29 -13.804 -0.636 1.374 197 HD3 ARG 29 HD3 ARG 29 -14.143 0.158 -0.174 198 HE ARG 29 HE ARG 29 -15.451 -2.101 -0.632 199 HH11 ARG 29 HH11 ARG 29 -15.545 -0.505 2.528 200 HH12 ARG 29 HH12 ARG 29 -17.289 -0.782 2.614 201 HH21 ARG 29 HH21 ARG 29 -17.660 -2.240 -0.386 202 HH22 ARG 29 HH22 ARG 29 -18.337 -1.746 1.171 203 H LYS 30 H LYS 30 -8.595 -3.071 -1.366 204 HA LYS 30 HA LYS 30 -7.375 -2.456 1.314 205 HB2 LYS 30 HB2 LYS 30 -8.031 -5.201 0.180 206 HB3 LYS 30 HB3 LYS 30 -6.924 -4.931 1.532 207 HG2 LYS 30 HG2 LYS 30 -8.713 -3.814 2.808 208 HG3 LYS 30 HG3 LYS 30 -9.851 -4.076 1.471 209 HD2 LYS 30 HD2 LYS 30 -9.609 -6.508 1.696 210 HD3 LYS 30 HD3 LYS 30 -8.418 -6.286 2.998 211 HE2 LYS 30 HE2 LYS 30 -10.122 -5.051 4.329 212 HE3 LYS 30 HE3 LYS 30 -11.296 -5.276 3.021 213 HZ1 LYS 30 HZ1 LYS 30 -10.114 -7.414 4.714 214 HZ2 LYS 30 HZ2 LYS 30 -11.663 -6.929 4.661 215 HZ3 LYS 30 HZ3 LYS 30 -10.995 -7.718 3.358 216 H CYS 31 H CYS 31 -5.106 -3.541 1.503 217 HA CYS 31 HA CYS 31 -3.615 -2.897 -1.034 218 HB2 CYS 31 HB2 CYS 31 -3.425 -1.139 0.545 219 HB3 CYS 31 HB3 CYS 31 -3.114 -2.267 1.861 220 H LYS 32 H LYS 32 -2.196 -4.249 -1.829 221 HA LYS 32 HA LYS 32 -1.194 -6.567 -0.233 222 HB2 LYS 32 HB2 LYS 32 -2.510 -7.070 -2.338 223 HB3 LYS 32 HB3 LYS 32 -1.313 -6.157 -3.257 224 HG2 LYS 32 HG2 LYS 32 -0.715 -8.442 -3.510 225 HG3 LYS 32 HG3 LYS 32 0.462 -7.765 -2.391 226 HD2 LYS 32 HD2 LYS 32 -1.513 -8.684 -0.644 227 HD3 LYS 32 HD3 LYS 32 -1.645 -9.831 -1.977 228 HE2 LYS 32 HE2 LYS 32 0.891 -10.143 -1.801 229 HE3 LYS 32 HE3 LYS 32 0.833 -9.133 -0.343 230 HZ1 LYS 32 HZ1 LYS 32 0.723 -11.479 0.205 231 HZ2 LYS 32 HZ2 LYS 32 -0.730 -10.775 0.603 232 HZ3 LYS 32 HZ3 LYS 32 -0.557 -11.703 -0.771 233 H CYS 33 H CYS 33 0.892 -6.526 0.378 234 HA CYS 33 HA CYS 33 2.679 -4.420 -0.767 235 HB2 CYS 33 HB2 CYS 33 2.954 -5.760 1.923 236 HB3 CYS 33 HB3 CYS 33 3.629 -4.229 1.364 237 H TYR 34 H TYR 34 4.128 -5.208 -2.201 238 HA TYR 34 HA TYR 34 4.509 -8.066 -2.365 239 HB2 TYR 34 HB2 TYR 34 5.512 -5.796 -4.098 240 HB3 TYR 34 HB3 TYR 34 5.810 -7.496 -4.427 241 HD1 TYR 34 HD1 TYR 34 3.404 -8.942 -4.028 242 HD2 TYR 34 HD2 TYR 34 3.974 -5.000 -5.722 243 HE1 TYR 34 HE1 TYR 34 1.323 -9.206 -5.354 244 HE2 TYR 34 HE2 TYR 34 1.969 -5.340 -7.132 245 HH TYR 34 HH TYR 34 -0.095 -8.267 -6.882 246 H TYR 35 H TYR 35 7.238 -5.870 -2.858 247 HA TYR 35 HA TYR 35 8.987 -8.040 -1.997 248 HB2 TYR 35 HB2 TYR 35 9.807 -5.413 -3.220 249 HB3 TYR 35 HB3 TYR 35 10.619 -6.975 -3.335 250 HD1 TYR 35 HD2 TYR 35 8.860 -8.880 -4.425 251 HD2 TYR 35 HD1 TYR 35 8.883 -4.627 -5.167 252 HE1 TYR 35 HE2 TYR 35 7.552 -9.232 -6.515 253 HE2 TYR 35 HE1 TYR 35 7.576 -4.989 -7.256 254 HH TYR 35 HH TYR 35 6.448 -8.220 -8.274 255 H CYS 36 H CYS 36 7.666 -6.688 0.205 256 HA CYS 36 HA CYS 36 9.927 -5.439 1.632 257 HB2 CYS 36 HB2 CYS 36 8.545 -3.546 2.037 258 HB3 CYS 36 HB3 CYS 36 8.664 -3.784 0.337 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 3.276 -7.325 3.333 2 H2 ALA 1 H2 ALA 1 4.446 -6.811 4.362 3 H3 ALA 1 H3 ALA 1 4.117 -5.936 3.022 4 HA ALA 1 HA ALA 1 2.445 -6.312 5.407 5 HB1 ALA 1 HB1 ALA 1 4.190 -4.578 5.569 6 HB2 ALA 1 HB2 ALA 1 3.488 -3.774 4.147 7 HB3 ALA 1 HB3 ALA 1 2.553 -3.902 5.652 8 H ALA 2 H ALA 2 0.336 -5.314 5.433 9 HA ALA 2 HA ALA 2 -0.941 -4.749 2.875 10 HB1 ALA 2 HB1 ALA 2 -0.785 -7.283 3.049 11 HB2 ALA 2 HB2 ALA 2 -1.750 -7.198 4.531 12 HB3 ALA 2 HB3 ALA 2 -2.438 -6.680 2.972 13 H ALA 3 H ALA 3 -3.569 -5.530 4.285 14 HA ALA 3 HA ALA 3 -5.093 -4.815 5.737 15 HB1 ALA 3 HB1 ALA 3 -2.738 -4.125 7.511 16 HB2 ALA 3 HB2 ALA 3 -4.373 -4.585 8.032 17 HB3 ALA 3 HB3 ALA 3 -3.329 -5.787 7.237 18 H ILE 4 H ILE 4 -3.492 -2.451 4.254 19 HA ILE 4 HA ILE 4 -4.367 -0.175 5.901 20 HB ILE 4 HB ILE 4 -3.345 1.183 4.153 21 HG12 ILE 4 HG12 ILE 4 -2.508 -1.407 2.770 22 HG13 ILE 4 HG13 ILE 4 -3.883 -0.439 2.231 23 HG21 ILE 4 HG21 ILE 4 -1.084 0.688 4.653 24 HG22 ILE 4 HG22 ILE 4 -2.030 0.212 6.065 25 HG23 ILE 4 HG23 ILE 4 -1.435 -1.023 4.933 26 HD11 ILE 4 HD11 ILE 4 -2.462 1.493 1.823 27 HD12 ILE 4 HD12 ILE 4 -1.042 0.555 2.411 28 HD13 ILE 4 HD13 ILE 4 -1.893 0.057 0.945 29 H SER 5 H SER 5 -5.464 1.635 4.879 30 HA SER 5 HA SER 5 -7.795 0.846 3.275 31 HB2 SER 5 HB2 SER 5 -8.448 3.218 3.467 32 HB3 SER 5 HB3 SER 5 -8.221 2.394 5.013 33 HG SER 5 HG SER 5 -7.252 4.330 5.201 34 H CYS 6 H CYS 6 -7.306 0.344 1.222 35 HA CYS 6 HA CYS 6 -5.435 1.536 -0.554 36 HB2 CYS 6 HB2 CYS 6 -6.666 -0.529 -0.975 37 HB3 CYS 6 HB3 CYS 6 -8.186 0.363 -1.019 38 H VAL 7 H VAL 7 -8.635 2.809 0.486 39 HA VAL 7 HA VAL 7 -8.616 4.953 -1.509 40 HB VAL 7 HB VAL 7 -10.568 5.784 -0.498 41 HG11 VAL 7 HG11 VAL 7 -10.769 2.766 -0.335 42 HG12 VAL 7 HG12 VAL 7 -12.077 3.927 -0.609 43 HG13 VAL 7 HG13 VAL 7 -10.807 3.732 -1.826 44 HG21 VAL 7 HG21 VAL 7 -9.998 4.100 1.952 45 HG22 VAL 7 HG22 VAL 7 -10.197 5.853 1.845 46 HG23 VAL 7 HG23 VAL 7 -11.583 4.796 1.586 47 H GLY 8 H GLY 8 -7.072 4.633 1.509 48 HA2 GLY 8 HA2 GLY 8 -7.381 6.706 3.086 49 HA3 GLY 8 HA3 GLY 8 -5.770 6.128 2.660 50 H SER 9 H SER 9 -4.642 7.135 0.843 51 HA SER 9 HA SER 9 -5.620 9.665 -0.216 52 HB2 SER 9 HB2 SER 9 -3.610 9.688 2.016 53 HB3 SER 9 HB3 SER 9 -3.494 10.906 0.715 54 HG SER 9 HG SER 9 -5.950 10.371 1.962 55 HA PRO 10 HA PRO 10 -1.687 8.238 -2.507 56 HB2 PRO 10 HB2 PRO 10 0.127 6.581 -1.400 57 HB3 PRO 10 HB3 PRO 10 0.167 8.341 -1.009 58 HG2 PRO 10 HG2 PRO 10 -1.131 6.092 0.543 59 HG3 PRO 10 HG3 PRO 10 0.021 7.298 1.200 60 HD2 PRO 10 HD2 PRO 10 -2.687 7.611 1.429 61 HD3 PRO 10 HD3 PRO 10 -1.615 9.014 1.109 62 H GLU 11 H GLU 11 -1.078 5.944 -3.446 63 HA GLU 11 HA GLU 11 -3.321 4.096 -3.260 64 HB2 GLU 11 HB2 GLU 11 -0.589 3.699 -4.522 65 HB3 GLU 11 HB3 GLU 11 -2.002 2.650 -4.711 66 HG2 GLU 11 HG2 GLU 11 -3.236 4.477 -5.818 67 HG3 GLU 11 HG3 GLU 11 -1.845 5.545 -5.634 68 H CYS 12 H CYS 12 -0.013 2.848 -2.850 69 HA CYS 12 HA CYS 12 -0.821 1.691 -0.229 70 HB2 CYS 12 HB2 CYS 12 -0.036 0.010 -2.624 71 HB3 CYS 12 HB3 CYS 12 -0.356 -0.550 -0.995 72 HA PRO 13 HA PRO 13 3.925 0.550 -0.685 73 HB2 PRO 13 HB2 PRO 13 4.948 2.848 -2.274 74 HB3 PRO 13 HB3 PRO 13 5.374 1.129 -2.351 75 HG2 PRO 13 HG2 PRO 13 3.737 2.497 -4.163 76 HG3 PRO 13 HG3 PRO 13 3.823 0.734 -3.978 77 HD2 PRO 13 HD2 PRO 13 1.640 2.459 -3.243 78 HD3 PRO 13 HD3 PRO 13 1.738 0.697 -3.262 79 HA PRO 14 HA PRO 14 5.039 4.625 1.470 80 HB2 PRO 14 HB2 PRO 14 3.658 6.927 1.263 81 HB3 PRO 14 HB3 PRO 14 4.788 6.388 -0.017 82 HG2 PRO 14 HG2 PRO 14 1.789 5.976 0.100 83 HG3 PRO 14 HG3 PRO 14 2.735 6.683 -1.254 84 HD2 PRO 14 HD2 PRO 14 1.993 4.070 -1.215 85 HD3 PRO 14 HD3 PRO 14 3.585 4.578 -1.862 86 H LYS 15 H LYS 15 1.857 3.373 1.441 87 HA LYS 15 HA LYS 15 1.150 4.429 4.136 88 HB2 LYS 15 HB2 LYS 15 -0.384 4.587 2.094 89 HB3 LYS 15 HB3 LYS 15 -0.665 2.865 2.300 90 HG2 LYS 15 HG2 LYS 15 -1.366 3.396 4.716 91 HG3 LYS 15 HG3 LYS 15 -1.213 5.108 4.301 92 HD2 LYS 15 HD2 LYS 15 -3.201 3.121 3.134 93 HD3 LYS 15 HD3 LYS 15 -3.529 4.434 4.248 94 HE2 LYS 15 HE2 LYS 15 -3.887 5.809 2.569 95 HE3 LYS 15 HE3 LYS 15 -2.215 5.660 2.080 96 HZ1 LYS 15 HZ1 LYS 15 -3.732 5.040 0.238 97 HZ2 LYS 15 HZ2 LYS 15 -2.884 3.755 0.638 98 HZ3 LYS 15 HZ3 LYS 15 -4.428 3.884 1.180 99 H CYS 16 H CYS 16 2.014 1.438 2.482 100 HA CYS 16 HA CYS 16 1.120 -0.510 4.266 101 HB2 CYS 16 HB2 CYS 16 3.465 -0.318 2.367 102 HB3 CYS 16 HB3 CYS 16 3.268 -1.733 3.377 103 H ARG 17 H ARG 17 3.859 1.656 4.795 104 HA ARG 17 HA ARG 17 3.884 0.893 7.595 105 HB2 ARG 17 HB2 ARG 17 6.239 0.534 7.812 106 HB3 ARG 17 HB3 ARG 17 5.624 -0.598 6.594 107 HG2 ARG 17 HG2 ARG 17 6.418 1.026 4.809 108 HG3 ARG 17 HG3 ARG 17 7.191 1.967 6.085 109 HD2 ARG 17 HD2 ARG 17 7.803 -0.884 5.277 110 HD3 ARG 17 HD3 ARG 17 8.809 0.556 5.036 111 HE ARG 17 HE ARG 17 8.140 -0.125 7.831 112 HH11 ARG 17 HH11 ARG 17 10.791 -0.160 5.458 113 HH12 ARG 17 HH12 ARG 17 11.815 -0.970 6.633 114 HH21 ARG 17 HH21 ARG 17 9.578 -0.866 9.168 115 HH22 ARG 17 HH22 ARG 17 11.242 -1.174 8.660 116 H ALA 18 H ALA 18 5.294 2.366 8.868 117 HA ALA 18 HA ALA 18 4.275 4.977 8.624 118 HB1 ALA 18 HB1 ALA 18 4.918 3.774 10.699 119 HB2 ALA 18 HB2 ALA 18 6.628 3.900 10.247 120 HB3 ALA 18 HB3 ALA 18 5.692 5.371 10.615 121 H GLN 19 H GLN 19 7.281 3.765 7.379 122 HA GLN 19 HA GLN 19 8.193 6.460 6.479 123 HB2 GLN 19 HB2 GLN 19 10.428 5.538 6.463 124 HB3 GLN 19 HB3 GLN 19 9.704 5.536 8.061 125 HG2 GLN 19 HG2 GLN 19 9.595 3.047 6.305 126 HG3 GLN 19 HG3 GLN 19 11.021 3.484 7.219 127 HE21 GLN 19 HE22 GLN 19 10.953 3.395 9.602 128 HE22 GLN 19 HE21 GLN 19 9.647 2.466 10.363 129 H GLY 20 H GLY 20 6.450 4.119 5.237 130 HA2 GLY 20 HA2 GLY 20 5.947 3.323 3.177 131 HA3 GLY 20 HA3 GLY 20 7.031 4.536 2.467 132 H CYS 21 H CYS 21 6.602 1.986 1.382 133 HA CYS 21 HA CYS 21 9.344 0.899 1.363 134 HB2 CYS 21 HB2 CYS 21 7.590 -0.183 3.181 135 HB3 CYS 21 HB3 CYS 21 7.272 -1.183 1.792 136 H LYS 22 H LYS 22 8.786 -1.490 0.083 137 HA LYS 22 HA LYS 22 8.622 -0.584 -2.623 138 HB2 LYS 22 HB2 LYS 22 8.587 -3.461 -1.674 139 HB3 LYS 22 HB3 LYS 22 9.088 -2.842 -3.258 140 HG2 LYS 22 HG2 LYS 22 10.942 -1.551 -1.998 141 HG3 LYS 22 HG3 LYS 22 10.530 -2.566 -0.606 142 HD2 LYS 22 HD2 LYS 22 10.795 -4.550 -2.367 143 HD3 LYS 22 HD3 LYS 22 11.673 -3.352 -3.300 144 HE2 LYS 22 HE2 LYS 22 13.271 -4.613 -2.076 145 HE3 LYS 22 HE3 LYS 22 13.194 -3.034 -1.290 146 HZ1 LYS 22 HZ1 LYS 22 11.872 -3.990 0.457 147 HZ2 LYS 22 HZ2 LYS 22 11.701 -5.430 -0.322 148 HZ3 LYS 22 HZ3 LYS 22 13.173 -4.948 0.247 149 H ASN 23 H ASN 23 7.443 -2.089 -4.222 150 HA ASN 23 HA ASN 23 4.946 -0.860 -4.371 151 HB2 ASN 23 HB2 ASN 23 6.294 -2.938 -6.095 152 HB3 ASN 23 HB3 ASN 23 4.733 -2.239 -6.489 153 HD21 ASN 23 HD22 ASN 23 6.167 -1.778 -8.403 154 HD22 ASN 23 HD21 ASN 23 6.911 -0.158 -8.395 155 H GLY 24 H GLY 24 2.826 -1.637 -4.930 156 HA2 GLY 24 HA2 GLY 24 1.958 -4.243 -3.914 157 HA3 GLY 24 HA3 GLY 24 1.525 -2.870 -2.887 158 H LYS 25 H LYS 25 -0.373 -4.514 -3.817 159 HA LYS 25 HA LYS 25 -1.842 -3.082 -5.989 160 HB2 LYS 25 HB2 LYS 25 -0.660 -4.982 -6.885 161 HB3 LYS 25 HB3 LYS 25 -1.322 -6.056 -5.658 162 HG2 LYS 25 HG2 LYS 25 -3.248 -4.613 -7.478 163 HG3 LYS 25 HG3 LYS 25 -2.265 -5.898 -8.164 164 HD2 LYS 25 HD2 LYS 25 -3.104 -7.514 -6.502 165 HD3 LYS 25 HD3 LYS 25 -4.066 -6.244 -5.740 166 HE2 LYS 25 HE2 LYS 25 -5.043 -5.887 -8.168 167 HE3 LYS 25 HE3 LYS 25 -4.405 -7.508 -8.482 168 HZ1 LYS 25 HZ1 LYS 25 -6.695 -7.610 -7.751 169 HZ2 LYS 25 HZ2 LYS 25 -5.783 -8.274 -6.557 170 HZ3 LYS 25 HZ3 LYS 25 -6.371 -6.733 -6.409 171 H CYS 26 H CYS 26 -3.986 -2.915 -5.851 172 HA CYS 26 HA CYS 26 -5.175 -3.240 -3.178 173 HB2 CYS 26 HB2 CYS 26 -5.084 -1.076 -4.285 174 HB3 CYS 26 HB3 CYS 26 -6.006 -1.694 -5.645 175 H MET 27 H MET 27 -7.382 -3.918 -2.849 176 HA MET 27 HA MET 27 -8.598 -5.663 -4.909 177 HB2 MET 27 HB2 MET 27 -7.056 -7.034 -3.447 178 HB3 MET 27 HB3 MET 27 -8.090 -6.660 -2.070 179 HG2 MET 27 HG2 MET 27 -8.509 -8.888 -3.066 180 HG3 MET 27 HG3 MET 27 -9.945 -7.890 -3.122 181 HE1 MET 27 HE1 MET 27 -10.426 -10.044 -6.312 182 HE2 MET 27 HE2 MET 27 -9.818 -10.535 -4.718 183 HE3 MET 27 HE3 MET 27 -11.185 -9.405 -4.839 184 H ASN 28 H ASN 28 -10.250 -6.386 -2.171 185 HA ASN 28 HA ASN 28 -12.435 -4.530 -2.689 186 HB2 ASN 28 HB2 ASN 28 -13.569 -5.836 -0.967 187 HB3 ASN 28 HB3 ASN 28 -12.884 -6.881 -2.205 188 HD21 ASN 28 HD22 ASN 28 -13.706 -7.503 0.564 189 HD22 ASN 28 HD21 ASN 28 -12.270 -8.257 1.264 190 H ARG 29 H ARG 29 -11.441 -2.550 -2.228 191 HA ARG 29 HA ARG 29 -10.061 -1.030 -1.348 192 HB2 ARG 29 HB2 ARG 29 -11.235 0.183 0.433 193 HB3 ARG 29 HB3 ARG 29 -12.216 -0.266 -0.962 194 HG2 ARG 29 HG2 ARG 29 -13.362 -1.982 0.237 195 HG3 ARG 29 HG3 ARG 29 -12.158 -1.975 1.545 196 HD2 ARG 29 HD2 ARG 29 -14.137 -0.886 2.281 197 HD3 ARG 29 HD3 ARG 29 -12.772 0.263 2.145 198 HE ARG 29 HE ARG 29 -14.531 0.261 -0.196 199 HH11 ARG 29 HH11 ARG 29 -14.223 1.631 3.041 200 HH12 ARG 29 HH12 ARG 29 -15.240 2.994 2.605 201 HH21 ARG 29 HH21 ARG 29 -15.760 1.992 -0.617 202 HH22 ARG 29 HH22 ARG 29 -15.947 3.259 0.607 203 H LYS 30 H LYS 30 -9.523 -3.844 0.150 204 HA LYS 30 HA LYS 30 -7.455 -2.767 1.996 205 HB2 LYS 30 HB2 LYS 30 -8.016 -5.625 1.096 206 HB3 LYS 30 HB3 LYS 30 -6.841 -5.120 2.312 207 HG2 LYS 30 HG2 LYS 30 -8.813 -4.094 3.607 208 HG3 LYS 30 HG3 LYS 30 -9.869 -5.000 2.513 209 HD2 LYS 30 HD2 LYS 30 -7.759 -6.134 4.397 210 HD3 LYS 30 HD3 LYS 30 -9.510 -6.241 4.600 211 HE2 LYS 30 HE2 LYS 30 -9.681 -7.641 2.560 212 HE3 LYS 30 HE3 LYS 30 -7.941 -7.468 2.290 213 HZ1 LYS 30 HZ1 LYS 30 -7.571 -8.614 4.422 214 HZ2 LYS 30 HZ2 LYS 30 -9.192 -8.886 4.570 215 HZ3 LYS 30 HZ3 LYS 30 -8.328 -9.551 3.323 216 H CYS 31 H CYS 31 -5.133 -3.631 1.602 217 HA CYS 31 HA CYS 31 -4.436 -3.979 -1.239 218 HB2 CYS 31 HB2 CYS 31 -4.518 -1.436 -0.587 219 HB3 CYS 31 HB3 CYS 31 -3.047 -1.787 0.311 220 H LYS 32 H LYS 32 -2.403 -4.935 -1.597 221 HA LYS 32 HA LYS 32 -0.878 -5.915 0.754 222 HB2 LYS 32 HB2 LYS 32 -2.318 -7.579 -0.325 223 HB3 LYS 32 HB3 LYS 32 -1.754 -7.096 -1.930 224 HG2 LYS 32 HG2 LYS 32 -0.786 -9.192 -1.292 225 HG3 LYS 32 HG3 LYS 32 0.491 -7.979 -1.443 226 HD2 LYS 32 HD2 LYS 32 0.654 -7.755 1.002 227 HD3 LYS 32 HD3 LYS 32 -0.794 -8.793 1.198 228 HE2 LYS 32 HE2 LYS 32 0.346 -10.584 -0.033 229 HE3 LYS 32 HE3 LYS 32 1.793 -9.571 -0.149 230 HZ1 LYS 32 HZ1 LYS 32 2.009 -9.655 2.254 231 HZ2 LYS 32 HZ2 LYS 32 0.565 -10.430 2.419 232 HZ3 LYS 32 HZ3 LYS 32 1.858 -11.200 1.721 233 H CYS 33 H CYS 33 1.218 -5.275 0.776 234 HA CYS 33 HA CYS 33 2.575 -4.336 -1.680 235 HB2 CYS 33 HB2 CYS 33 3.291 -4.136 1.251 236 HB3 CYS 33 HB3 CYS 33 4.412 -3.783 -0.052 237 H TYR 34 H TYR 34 3.811 -5.601 -2.861 238 HA TYR 34 HA TYR 34 3.901 -8.456 -2.269 239 HB2 TYR 34 HB2 TYR 34 4.983 -6.776 -4.575 240 HB3 TYR 34 HB3 TYR 34 5.025 -8.526 -4.529 241 HD1 TYR 34 HD1 TYR 34 2.499 -9.509 -3.746 242 HD2 TYR 34 HD2 TYR 34 3.421 -6.042 -6.157 243 HE1 TYR 34 HE1 TYR 34 0.359 -9.782 -4.950 244 HE2 TYR 34 HE2 TYR 34 1.271 -6.341 -7.384 245 HH TYR 34 HH TYR 34 -0.946 -9.062 -6.614 246 H TYR 35 H TYR 35 6.314 -5.899 -2.437 247 HA TYR 35 HA TYR 35 8.516 -7.865 -1.896 248 HB2 TYR 35 HB2 TYR 35 8.751 -5.199 -3.260 249 HB3 TYR 35 HB3 TYR 35 9.936 -6.510 -3.218 250 HD1 TYR 35 HD1 TYR 35 8.591 -8.890 -4.046 251 HD2 TYR 35 HD2 TYR 35 7.958 -4.840 -5.405 252 HE1 TYR 35 HE1 TYR 35 7.585 -9.747 -6.144 253 HE2 TYR 35 HE2 TYR 35 6.951 -5.701 -7.505 254 HH TYR 35 HH TYR 35 6.608 -9.223 -8.112 255 H CYS 36 H CYS 36 6.787 -5.874 -0.087 256 HA CYS 36 HA CYS 36 8.918 -5.922 1.929 257 HB2 CYS 36 HB2 CYS 36 9.118 -3.724 0.840 258 HB3 CYS 36 HB3 CYS 36 7.433 -3.368 1.256 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 1.450 -2.841 6.599 2 H2 ALA 1 H2 ALA 1 1.498 -2.994 8.239 3 H3 ALA 1 H3 ALA 1 0.438 -1.944 7.534 4 HA ALA 1 HA ALA 1 0.402 -4.860 7.232 5 HB1 ALA 1 HB1 ALA 1 -1.696 -4.794 8.558 6 HB2 ALA 1 HB2 ALA 1 -0.306 -4.225 9.494 7 HB3 ALA 1 HB3 ALA 1 -1.466 -3.053 8.825 8 H ALA 2 H ALA 2 -1.212 -5.719 5.891 9 HA ALA 2 HA ALA 2 -2.003 -4.060 3.672 10 HB1 ALA 2 HB1 ALA 2 -2.730 -6.935 4.409 11 HB2 ALA 2 HB2 ALA 2 -2.962 -6.176 2.821 12 HB3 ALA 2 HB3 ALA 2 -1.322 -6.422 3.447 13 H ALA 3 H ALA 3 -3.664 -5.151 6.531 14 HA ALA 3 HA ALA 3 -6.333 -4.891 5.810 15 HB1 ALA 3 HB1 ALA 3 -6.716 -4.904 8.245 16 HB2 ALA 3 HB2 ALA 3 -5.478 -6.079 7.762 17 HB3 ALA 3 HB3 ALA 3 -4.996 -4.529 8.504 18 H ILE 4 H ILE 4 -4.512 -2.286 5.466 19 HA ILE 4 HA ILE 4 -6.048 -0.216 6.866 20 HB ILE 4 HB ILE 4 -4.632 1.338 5.584 21 HG12 ILE 4 HG12 ILE 4 -3.378 -1.200 4.436 22 HG13 ILE 4 HG13 ILE 4 -4.199 0.103 3.565 23 HG21 ILE 4 HG21 ILE 4 -2.661 0.991 6.894 24 HG22 ILE 4 HG22 ILE 4 -4.037 0.452 7.856 25 HG23 ILE 4 HG23 ILE 4 -2.989 -0.747 7.063 26 HD11 ILE 4 HD11 ILE 4 -1.895 0.462 3.263 27 HD12 ILE 4 HD12 ILE 4 -2.379 1.655 4.497 28 HD13 ILE 4 HD13 ILE 4 -1.516 0.170 4.968 29 H SER 5 H SER 5 -7.105 1.478 5.606 30 HA SER 5 HA SER 5 -8.745 0.500 3.408 31 HB2 SER 5 HB2 SER 5 -8.193 3.340 4.317 32 HB3 SER 5 HB3 SER 5 -9.421 2.830 3.137 33 HG SER 5 HG SER 5 -10.305 3.041 5.222 34 H CYS 6 H CYS 6 -7.798 -0.072 1.512 35 HA CYS 6 HA CYS 6 -5.456 1.245 0.505 36 HB2 CYS 6 HB2 CYS 6 -6.401 -1.063 0.014 37 HB3 CYS 6 HB3 CYS 6 -7.354 -0.267 -1.246 38 H VAL 7 H VAL 7 -8.910 2.056 0.154 39 HA VAL 7 HA VAL 7 -8.604 4.068 -1.889 40 HB VAL 7 HB VAL 7 -10.506 3.942 0.491 41 HG11 VAL 7 HG11 VAL 7 -11.961 5.411 -0.914 42 HG12 VAL 7 HG12 VAL 7 -10.493 6.227 -0.390 43 HG13 VAL 7 HG13 VAL 7 -10.620 5.619 -2.060 44 HG21 VAL 7 HG21 VAL 7 -10.886 3.116 -2.427 45 HG22 VAL 7 HG22 VAL 7 -10.728 1.996 -1.070 46 HG23 VAL 7 HG23 VAL 7 -12.128 3.064 -1.159 47 H GLY 8 H GLY 8 -8.276 4.162 1.622 48 HA2 GLY 8 HA2 GLY 8 -7.470 5.852 3.083 49 HA3 GLY 8 HA3 GLY 8 -6.063 5.317 2.168 50 H SER 9 H SER 9 -4.770 6.767 1.625 51 HA SER 9 HA SER 9 -5.852 9.239 0.295 52 HB2 SER 9 HB2 SER 9 -4.053 9.036 2.626 53 HB3 SER 9 HB3 SER 9 -3.564 10.216 1.372 54 HG SER 9 HG SER 9 -4.950 11.260 2.754 55 HA PRO 10 HA PRO 10 -1.941 8.228 -2.236 56 HB2 PRO 10 HB2 PRO 10 -0.098 6.429 -1.395 57 HB3 PRO 10 HB3 PRO 10 -0.098 8.101 -0.752 58 HG2 PRO 10 HG2 PRO 10 -1.402 5.638 0.454 59 HG3 PRO 10 HG3 PRO 10 -0.223 6.713 1.262 60 HD2 PRO 10 HD2 PRO 10 -2.911 7.018 1.565 61 HD3 PRO 10 HD3 PRO 10 -1.845 8.456 1.421 62 H GLU 11 H GLU 11 -1.207 5.927 -3.530 63 HA GLU 11 HA GLU 11 -3.483 4.223 -3.675 64 HB2 GLU 11 HB2 GLU 11 -2.158 4.863 -5.610 65 HB3 GLU 11 HB3 GLU 11 -0.709 4.098 -4.924 66 HG2 GLU 11 HG2 GLU 11 -1.770 1.951 -4.911 67 HG3 GLU 11 HG3 GLU 11 -3.305 2.690 -5.421 68 H CYS 12 H CYS 12 -0.035 3.261 -2.810 69 HA CYS 12 HA CYS 12 -1.103 1.670 -0.596 70 HB2 CYS 12 HB2 CYS 12 -1.878 0.309 -2.394 71 HB3 CYS 12 HB3 CYS 12 -0.289 0.225 -3.117 72 HA PRO 13 HA PRO 13 3.483 0.396 -0.631 73 HB2 PRO 13 HB2 PRO 13 5.299 2.010 -2.057 74 HB3 PRO 13 HB3 PRO 13 4.719 0.376 -2.459 75 HG2 PRO 13 HG2 PRO 13 3.759 3.031 -3.499 76 HG3 PRO 13 HG3 PRO 13 3.903 1.477 -4.363 77 HD2 PRO 13 HD2 PRO 13 1.516 2.416 -3.481 78 HD3 PRO 13 HD3 PRO 13 1.886 0.683 -3.466 79 HA PRO 14 HA PRO 14 4.973 4.394 1.445 80 HB2 PRO 14 HB2 PRO 14 3.612 6.733 1.332 81 HB3 PRO 14 HB3 PRO 14 4.747 6.230 0.038 82 HG2 PRO 14 HG2 PRO 14 1.736 5.888 0.105 83 HG3 PRO 14 HG3 PRO 14 2.727 6.600 -1.210 84 HD2 PRO 14 HD2 PRO 14 1.907 4.002 -1.241 85 HD3 PRO 14 HD3 PRO 14 3.519 4.487 -1.868 86 H LYS 15 H LYS 15 1.625 3.405 1.342 87 HA LYS 15 HA LYS 15 1.289 4.040 4.221 88 HB2 LYS 15 HB2 LYS 15 -0.984 3.650 4.097 89 HB3 LYS 15 HB3 LYS 15 -0.525 4.862 2.919 90 HG2 LYS 15 HG2 LYS 15 -1.002 3.420 1.072 91 HG3 LYS 15 HG3 LYS 15 -0.932 1.987 2.079 92 HD2 LYS 15 HD2 LYS 15 -3.226 2.110 2.044 93 HD3 LYS 15 HD3 LYS 15 -2.988 3.262 3.341 94 HE2 LYS 15 HE2 LYS 15 -4.410 4.423 2.140 95 HE3 LYS 15 HE3 LYS 15 -2.889 5.067 1.533 96 HZ1 LYS 15 HZ1 LYS 15 -3.193 3.309 -0.326 97 HZ2 LYS 15 HZ2 LYS 15 -4.740 3.180 0.185 98 HZ3 LYS 15 HZ3 LYS 15 -4.174 4.581 -0.380 99 H CYS 16 H CYS 16 2.340 1.359 2.364 100 HA CYS 16 HA CYS 16 1.320 -0.784 3.910 101 HB2 CYS 16 HB2 CYS 16 4.036 -0.494 2.578 102 HB3 CYS 16 HB3 CYS 16 3.397 -2.000 3.224 103 H ARG 17 H ARG 17 3.940 1.458 4.790 104 HA ARG 17 HA ARG 17 4.006 0.515 7.531 105 HB2 ARG 17 HB2 ARG 17 6.408 0.005 7.574 106 HB3 ARG 17 HB3 ARG 17 5.515 -1.117 6.536 107 HG2 ARG 17 HG2 ARG 17 6.325 -0.020 4.531 108 HG3 ARG 17 HG3 ARG 17 7.061 1.269 5.481 109 HD2 ARG 17 HD2 ARG 17 8.690 -0.343 4.648 110 HD3 ARG 17 HD3 ARG 17 8.714 -0.157 6.395 111 HE ARG 17 HE ARG 17 7.074 -2.430 5.519 112 HH11 ARG 17 HH11 ARG 17 10.391 -1.547 6.344 113 HH12 ARG 17 HH12 ARG 17 10.697 -3.126 7.019 114 HH21 ARG 17 HH21 ARG 17 7.636 -4.397 6.080 115 HH22 ARG 17 HH22 ARG 17 9.282 -4.767 6.622 116 H ALA 18 H ALA 18 5.638 1.748 8.826 117 HA ALA 18 HA ALA 18 4.877 4.440 8.704 118 HB1 ALA 18 HB1 ALA 18 5.443 3.185 10.735 119 HB2 ALA 18 HB2 ALA 18 7.143 3.083 10.226 120 HB3 ALA 18 HB3 ALA 18 6.426 4.661 10.636 121 H GLN 19 H GLN 19 7.770 3.042 7.309 122 HA GLN 19 HA GLN 19 8.768 5.720 6.430 123 HB2 GLN 19 HB2 GLN 19 10.940 4.747 6.279 124 HB3 GLN 19 HB3 GLN 19 10.296 4.578 7.908 125 HG2 GLN 19 HG2 GLN 19 10.035 2.295 5.901 126 HG3 GLN 19 HG3 GLN 19 11.526 2.619 6.746 127 HE21 GLN 19 HE22 GLN 19 11.746 1.982 8.941 128 HE22 GLN 19 HE21 GLN 19 10.458 1.151 9.799 129 H GLY 20 H GLY 20 6.859 3.478 5.204 130 HA2 GLY 20 HA2 GLY 20 6.158 2.912 3.142 131 HA3 GLY 20 HA3 GLY 20 7.327 4.027 2.423 132 H CYS 21 H CYS 21 6.454 1.685 1.338 133 HA CYS 21 HA CYS 21 8.692 -0.300 1.438 134 HB2 CYS 21 HB2 CYS 21 5.700 -0.425 1.037 135 HB3 CYS 21 HB3 CYS 21 6.682 -1.603 0.220 136 H LYS 22 H LYS 22 9.050 -1.479 -0.657 137 HA LYS 22 HA LYS 22 9.784 0.250 -2.737 138 HB2 LYS 22 HB2 LYS 22 9.248 -2.732 -3.041 139 HB3 LYS 22 HB3 LYS 22 10.250 -1.717 -4.083 140 HG2 LYS 22 HG2 LYS 22 11.771 -1.310 -2.093 141 HG3 LYS 22 HG3 LYS 22 10.781 -2.482 -1.197 142 HD2 LYS 22 HD2 LYS 22 11.293 -4.192 -2.982 143 HD3 LYS 22 HD3 LYS 22 12.377 -3.015 -3.729 144 HE2 LYS 22 HE2 LYS 22 13.799 -4.402 -2.486 145 HE3 LYS 22 HE3 LYS 22 13.646 -2.952 -1.491 146 HZ1 LYS 22 HZ1 LYS 22 12.013 -4.159 -0.146 147 HZ2 LYS 22 HZ2 LYS 22 12.124 -5.488 -1.117 148 HZ3 LYS 22 HZ3 LYS 22 13.396 -5.026 -0.197 149 H ASN 23 H ASN 23 7.044 -2.062 -2.956 150 HA ASN 23 HA ASN 23 5.528 -0.261 -4.709 151 HB2 ASN 23 HB2 ASN 23 7.288 -1.633 -6.058 152 HB3 ASN 23 HB3 ASN 23 6.232 -3.017 -5.770 153 HD21 ASN 23 HD22 ASN 23 6.941 -2.131 -8.302 154 HD22 ASN 23 HD21 ASN 23 5.470 -1.547 -9.086 155 H GLY 24 H GLY 24 3.416 -1.240 -5.270 156 HA2 GLY 24 HA2 GLY 24 2.224 -3.461 -4.058 157 HA3 GLY 24 HA3 GLY 24 2.053 -2.150 -2.887 158 H LYS 25 H LYS 25 -0.147 -3.395 -3.948 159 HA LYS 25 HA LYS 25 -1.484 -1.354 -5.662 160 HB2 LYS 25 HB2 LYS 25 -0.200 -3.336 -6.902 161 HB3 LYS 25 HB3 LYS 25 -1.527 -4.316 -6.321 162 HG2 LYS 25 HG2 LYS 25 -2.168 -3.864 -8.435 163 HG3 LYS 25 HG3 LYS 25 -3.041 -2.578 -7.604 164 HD2 LYS 25 HD2 LYS 25 -0.336 -2.277 -9.019 165 HD3 LYS 25 HD3 LYS 25 -1.895 -1.924 -9.767 166 HE2 LYS 25 HE2 LYS 25 -2.348 -0.163 -8.149 167 HE3 LYS 25 HE3 LYS 25 -0.841 -0.519 -7.283 168 HZ1 LYS 25 HZ1 LYS 25 0.400 0.206 -9.135 169 HZ2 LYS 25 HZ2 LYS 25 -0.937 0.451 -10.084 170 HZ3 LYS 25 HZ3 LYS 25 -0.682 1.391 -8.768 171 H CYS 26 H CYS 26 -3.844 -1.520 -5.637 172 HA CYS 26 HA CYS 26 -4.843 -2.630 -3.132 173 HB2 CYS 26 HB2 CYS 26 -6.320 -1.241 -5.377 174 HB3 CYS 26 HB3 CYS 26 -7.013 -1.705 -3.832 175 H MET 27 H MET 27 -5.877 -4.381 -2.720 176 HA MET 27 HA MET 27 -6.658 -6.295 -4.856 177 HB2 MET 27 HB2 MET 27 -5.147 -6.900 -2.858 178 HB3 MET 27 HB3 MET 27 -6.569 -6.756 -1.838 179 HG2 MET 27 HG2 MET 27 -6.032 -9.080 -2.519 180 HG3 MET 27 HG3 MET 27 -7.637 -8.605 -3.006 181 HE1 MET 27 HE1 MET 27 -4.123 -8.828 -6.047 182 HE2 MET 27 HE2 MET 27 -4.504 -7.321 -5.186 183 HE3 MET 27 HE3 MET 27 -3.917 -8.740 -4.279 184 H ASN 28 H ASN 28 -8.685 -7.190 -2.458 185 HA ASN 28 HA ASN 28 -10.946 -5.577 -3.416 186 HB2 ASN 28 HB2 ASN 28 -11.122 -8.011 -2.935 187 HB3 ASN 28 HB3 ASN 28 -10.808 -7.693 -1.225 188 HD21 ASN 28 HD22 ASN 28 -13.056 -8.959 -1.444 189 HD22 ASN 28 HD21 ASN 28 -14.422 -7.829 -1.347 190 H ARG 29 H ARG 29 -10.021 -3.564 -2.879 191 HA ARG 29 HA ARG 29 -9.123 -1.859 -1.785 192 HB2 ARG 29 HB2 ARG 29 -10.667 -0.692 -0.334 193 HB3 ARG 29 HB3 ARG 29 -11.412 -1.342 -1.804 194 HG2 ARG 29 HG2 ARG 29 -12.400 -3.188 -0.567 195 HG3 ARG 29 HG3 ARG 29 -11.542 -2.712 0.914 196 HD2 ARG 29 HD2 ARG 29 -12.763 -0.673 1.045 197 HD3 ARG 29 HD3 ARG 29 -13.459 -0.901 -0.581 198 HE ARG 29 HE ARG 29 -14.487 -3.043 0.436 199 HH11 ARG 29 HH11 ARG 29 -14.229 -0.044 2.276 200 HH12 ARG 29 HH12 ARG 29 -15.445 -0.584 3.422 201 HH21 ARG 29 HH21 ARG 29 -15.921 -3.611 1.834 202 HH22 ARG 29 HH22 ARG 29 -16.471 -2.574 3.136 203 H LYS 30 H LYS 30 -8.215 -4.443 -0.504 204 HA LYS 30 HA LYS 30 -6.885 -3.174 1.867 205 HB2 LYS 30 HB2 LYS 30 -6.893 -6.071 0.911 206 HB3 LYS 30 HB3 LYS 30 -5.992 -5.460 2.294 207 HG2 LYS 30 HG2 LYS 30 -9.033 -5.538 2.035 208 HG3 LYS 30 HG3 LYS 30 -8.015 -6.595 3.003 209 HD2 LYS 30 HD2 LYS 30 -8.407 -5.200 4.713 210 HD3 LYS 30 HD3 LYS 30 -7.240 -4.115 3.949 211 HE2 LYS 30 HE2 LYS 30 -9.192 -3.071 2.690 212 HE3 LYS 30 HE3 LYS 30 -10.270 -4.077 3.671 213 HZ1 LYS 30 HZ1 LYS 30 -8.359 -2.066 4.716 214 HZ2 LYS 30 HZ2 LYS 30 -9.988 -1.884 4.663 215 HZ3 LYS 30 HZ3 LYS 30 -9.347 -2.995 5.657 216 H CYS 31 H CYS 31 -4.555 -3.177 1.973 217 HA CYS 31 HA CYS 31 -3.464 -2.504 -0.737 218 HB2 CYS 31 HB2 CYS 31 -3.409 -0.689 0.740 219 HB3 CYS 31 HB3 CYS 31 -2.822 -1.667 2.072 220 H LYS 32 H LYS 32 -2.544 -4.168 -1.739 221 HA LYS 32 HA LYS 32 -1.026 -6.217 -0.223 222 HB2 LYS 32 HB2 LYS 32 -2.750 -6.844 -1.934 223 HB3 LYS 32 HB3 LYS 32 -1.817 -6.016 -3.167 224 HG2 LYS 32 HG2 LYS 32 -1.464 -8.359 -3.363 225 HG3 LYS 32 HG3 LYS 32 0.054 -7.635 -2.852 226 HD2 LYS 32 HD2 LYS 32 -1.798 -8.686 -0.708 227 HD3 LYS 32 HD3 LYS 32 -1.014 -9.876 -1.736 228 HE2 LYS 32 HE2 LYS 32 0.717 -7.702 -0.587 229 HE3 LYS 32 HE3 LYS 32 0.107 -8.927 0.534 230 HZ1 LYS 32 HZ1 LYS 32 2.280 -9.464 -0.481 231 HZ2 LYS 32 HZ2 LYS 32 1.146 -10.618 -0.715 232 HZ3 LYS 32 HZ3 LYS 32 1.553 -9.614 -1.955 233 H CYS 33 H CYS 33 0.955 -5.426 0.334 234 HA CYS 33 HA CYS 33 2.570 -3.932 -1.613 235 HB2 CYS 33 HB2 CYS 33 2.745 -4.424 1.233 236 HB3 CYS 33 HB3 CYS 33 4.253 -4.866 0.438 237 H TYR 34 H TYR 34 4.299 -4.663 -2.786 238 HA TYR 34 HA TYR 34 3.948 -7.479 -3.652 239 HB2 TYR 34 HB2 TYR 34 5.262 -5.014 -4.845 240 HB3 TYR 34 HB3 TYR 34 5.431 -6.605 -5.549 241 HD1 TYR 34 HD2 TYR 34 2.054 -6.446 -4.319 242 HD2 TYR 34 HD1 TYR 34 4.669 -5.046 -7.461 243 HE1 TYR 34 HE2 TYR 34 0.141 -6.352 -5.865 244 HE2 TYR 34 HE1 TYR 34 2.745 -4.914 -8.995 245 HH TYR 34 HH TYR 34 0.567 -5.476 -9.333 246 H TYR 35 H TYR 35 6.614 -5.361 -2.745 247 HA TYR 35 HA TYR 35 8.491 -7.680 -2.521 248 HB2 TYR 35 HB2 TYR 35 9.139 -4.980 -3.727 249 HB3 TYR 35 HB3 TYR 35 10.175 -6.400 -3.683 250 HD1 TYR 35 HD1 TYR 35 8.690 -8.598 -4.739 251 HD2 TYR 35 HD2 TYR 35 8.577 -4.448 -5.917 252 HE1 TYR 35 HE1 TYR 35 7.972 -9.260 -7.031 253 HE2 TYR 35 HE2 TYR 35 7.903 -5.114 -8.209 254 HH TYR 35 HH TYR 35 7.599 -6.862 -9.653 255 H CYS 36 H CYS 36 7.126 -6.354 -0.298 256 HA CYS 36 HA CYS 36 9.387 -5.710 1.395 257 HB2 CYS 36 HB2 CYS 36 9.256 -3.605 0.332 258 HB3 CYS 36 HB3 CYS 36 7.498 -3.579 0.397 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 3.624 -6.412 8.157 2 H2 ALA 1 H2 ALA 1 4.632 -6.762 6.887 3 H3 ALA 1 H3 ALA 1 3.482 -7.851 7.356 4 HA ALA 1 HA ALA 1 2.937 -5.196 6.273 5 HB1 ALA 1 HB1 ALA 1 3.855 -6.664 4.527 6 HB2 ALA 1 HB2 ALA 1 2.662 -7.922 4.937 7 HB3 ALA 1 HB3 ALA 1 2.127 -6.369 4.244 8 H ALA 2 H ALA 2 0.664 -4.794 5.777 9 HA ALA 2 HA ALA 2 -1.315 -6.485 7.230 10 HB1 ALA 2 HB1 ALA 2 -0.537 -4.631 8.744 11 HB2 ALA 2 HB2 ALA 2 -0.995 -3.456 7.489 12 HB3 ALA 2 HB3 ALA 2 -2.234 -4.459 8.263 13 H ALA 3 H ALA 3 -3.518 -6.207 6.328 14 HA ALA 3 HA ALA 3 -3.505 -5.125 3.585 15 HB1 ALA 3 HB1 ALA 3 -4.791 -7.141 4.113 16 HB2 ALA 3 HB2 ALA 3 -5.828 -6.151 5.186 17 HB3 ALA 3 HB3 ALA 3 -5.751 -5.790 3.446 18 H ILE 4 H ILE 4 -3.340 -3.008 3.494 19 HA ILE 4 HA ILE 4 -4.615 -1.210 5.404 20 HB ILE 4 HB ILE 4 -3.258 0.486 4.296 21 HG12 ILE 4 HG12 ILE 4 -1.419 -1.173 2.876 22 HG13 ILE 4 HG13 ILE 4 -2.985 -1.603 2.227 23 HG21 ILE 4 HG21 ILE 4 -2.431 -0.785 6.223 24 HG22 ILE 4 HG22 ILE 4 -1.764 -2.025 5.148 25 HG23 ILE 4 HG23 ILE 4 -1.122 -0.349 5.103 26 HD11 ILE 4 HD11 ILE 4 -3.500 0.797 1.835 27 HD12 ILE 4 HD12 ILE 4 -1.856 1.163 2.424 28 HD13 ILE 4 HD13 ILE 4 -2.075 0.208 0.936 29 H SER 5 H SER 5 -5.799 0.652 4.707 30 HA SER 5 HA SER 5 -7.777 0.119 2.624 31 HB2 SER 5 HB2 SER 5 -7.258 2.609 4.285 32 HB3 SER 5 HB3 SER 5 -8.575 2.406 3.128 33 HG SER 5 HG SER 5 -9.203 1.919 5.271 34 H CYS 6 H CYS 6 -7.068 0.102 0.618 35 HA CYS 6 HA CYS 6 -4.941 1.608 -0.625 36 HB2 CYS 6 HB2 CYS 6 -5.873 -0.445 -1.556 37 HB3 CYS 6 HB3 CYS 6 -7.473 0.298 -1.690 38 H VAL 7 H VAL 7 -8.354 2.331 -0.066 39 HA VAL 7 HA VAL 7 -8.570 4.741 -1.620 40 HB VAL 7 HB VAL 7 -10.600 5.098 -0.175 41 HG11 VAL 7 HG11 VAL 7 -10.696 3.850 -2.270 42 HG12 VAL 7 HG12 VAL 7 -10.325 2.337 -1.415 43 HG13 VAL 7 HG13 VAL 7 -11.840 3.205 -1.079 44 HG21 VAL 7 HG21 VAL 7 -9.865 2.418 1.100 45 HG22 VAL 7 HG22 VAL 7 -9.873 3.994 1.933 46 HG23 VAL 7 HG23 VAL 7 -11.374 3.312 1.304 47 H GLY 8 H GLY 8 -7.141 4.202 1.469 48 HA2 GLY 8 HA2 GLY 8 -7.764 6.033 3.236 49 HA3 GLY 8 HA3 GLY 8 -6.078 5.645 2.876 50 H SER 9 H SER 9 -5.042 6.941 1.138 51 HA SER 9 HA SER 9 -6.164 9.497 0.403 52 HB2 SER 9 HB2 SER 9 -5.513 10.356 2.471 53 HB3 SER 9 HB3 SER 9 -3.990 9.482 2.486 54 HG SER 9 HG SER 9 -4.070 11.842 1.934 55 HA PRO 10 HA PRO 10 -2.252 8.412 -2.157 56 HB2 PRO 10 HB2 PRO 10 -0.307 6.785 -1.209 57 HB3 PRO 10 HB3 PRO 10 -0.354 8.514 -0.692 58 HG2 PRO 10 HG2 PRO 10 -1.518 6.076 0.692 59 HG3 PRO 10 HG3 PRO 10 -0.396 7.250 1.419 60 HD2 PRO 10 HD2 PRO 10 -3.095 7.477 1.756 61 HD3 PRO 10 HD3 PRO 10 -2.083 8.934 1.498 62 H GLU 11 H GLU 11 -1.499 6.209 -3.216 63 HA GLU 11 HA GLU 11 -3.619 4.194 -3.109 64 HB2 GLU 11 HB2 GLU 11 -0.975 4.320 -4.530 65 HB3 GLU 11 HB3 GLU 11 -1.978 2.898 -4.557 66 HG2 GLU 11 HG2 GLU 11 -2.430 4.009 -6.578 67 HG3 GLU 11 HG3 GLU 11 -3.855 4.247 -5.487 68 H CYS 12 H CYS 12 -0.215 3.135 -2.840 69 HA CYS 12 HA CYS 12 -0.951 1.793 -0.274 70 HB2 CYS 12 HB2 CYS 12 -0.085 0.288 -2.756 71 HB3 CYS 12 HB3 CYS 12 -0.289 -0.358 -1.150 72 HA PRO 13 HA PRO 13 3.701 0.761 -0.650 73 HB2 PRO 13 HB2 PRO 13 5.033 2.883 -2.184 74 HB3 PRO 13 HB3 PRO 13 5.128 1.107 -2.336 75 HG2 PRO 13 HG2 PRO 13 3.713 2.901 -4.039 76 HG3 PRO 13 HG3 PRO 13 3.716 1.120 -4.096 77 HD2 PRO 13 HD2 PRO 13 1.577 2.865 -3.207 78 HD3 PRO 13 HD3 PRO 13 1.614 1.106 -3.347 79 HA PRO 14 HA PRO 14 4.975 4.768 1.558 80 HB2 PRO 14 HB2 PRO 14 3.585 7.084 1.445 81 HB3 PRO 14 HB3 PRO 14 4.724 6.593 0.154 82 HG2 PRO 14 HG2 PRO 14 1.709 6.243 0.207 83 HG3 PRO 14 HG3 PRO 14 2.713 6.936 -1.105 84 HD2 PRO 14 HD2 PRO 14 1.879 4.338 -1.096 85 HD3 PRO 14 HD3 PRO 14 3.474 4.814 -1.773 86 H LYS 15 H LYS 15 1.751 3.625 1.503 87 HA LYS 15 HA LYS 15 1.109 4.449 4.288 88 HB2 LYS 15 HB2 LYS 15 -0.477 4.676 2.271 89 HB3 LYS 15 HB3 LYS 15 -0.674 2.930 2.384 90 HG2 LYS 15 HG2 LYS 15 -1.333 3.335 4.863 91 HG3 LYS 15 HG3 LYS 15 -1.367 5.061 4.454 92 HD2 LYS 15 HD2 LYS 15 -3.130 2.886 3.263 93 HD3 LYS 15 HD3 LYS 15 -3.593 4.084 4.444 94 HE2 LYS 15 HE2 LYS 15 -4.110 5.531 2.853 95 HE3 LYS 15 HE3 LYS 15 -2.430 5.565 2.327 96 HZ1 LYS 15 HZ1 LYS 15 -3.919 4.910 0.466 97 HZ2 LYS 15 HZ2 LYS 15 -2.951 3.687 0.807 98 HZ3 LYS 15 HZ3 LYS 15 -4.478 3.635 1.354 99 H CYS 16 H CYS 16 2.063 1.629 2.401 100 HA CYS 16 HA CYS 16 1.328 -0.556 3.936 101 HB2 CYS 16 HB2 CYS 16 3.893 0.040 2.428 102 HB3 CYS 16 HB3 CYS 16 3.549 -1.540 3.117 103 H ARG 17 H ARG 17 4.002 1.670 4.649 104 HA ARG 17 HA ARG 17 3.889 1.055 7.449 105 HB2 ARG 17 HB2 ARG 17 6.151 0.517 7.813 106 HB3 ARG 17 HB3 ARG 17 5.516 -0.647 6.618 107 HG2 ARG 17 HG2 ARG 17 6.603 0.753 4.809 108 HG3 ARG 17 HG3 ARG 17 7.363 1.701 6.101 109 HD2 ARG 17 HD2 ARG 17 7.736 -1.250 5.550 110 HD3 ARG 17 HD3 ARG 17 8.896 0.066 5.274 111 HE ARG 17 HE ARG 17 7.866 -0.522 8.030 112 HH11 ARG 17 HH12 ARG 17 10.761 -0.305 6.024 113 HH12 ARG 17 HH11 ARG 17 11.771 -0.165 7.454 114 HH21 ARG 17 HH21 ARG 17 9.162 -0.550 9.665 115 HH22 ARG 17 HH22 ARG 17 10.921 -0.483 9.480 116 H ALA 18 H ALA 18 5.362 2.562 8.653 117 HA ALA 18 HA ALA 18 4.604 5.174 7.974 118 HB1 ALA 18 HB1 ALA 18 6.669 4.057 9.909 119 HB2 ALA 18 HB2 ALA 18 6.042 5.738 9.962 120 HB3 ALA 18 HB3 ALA 18 4.949 4.355 10.228 121 H GLN 19 H GLN 19 7.762 3.666 7.473 122 HA GLN 19 HA GLN 19 8.882 5.998 6.052 123 HB2 GLN 19 HB2 GLN 19 10.939 4.742 6.019 124 HB3 GLN 19 HB3 GLN 19 10.330 5.106 7.618 125 HG2 GLN 19 HG2 GLN 19 9.858 2.411 6.300 126 HG3 GLN 19 HG3 GLN 19 11.336 2.823 7.159 127 HE21 GLN 19 HE22 GLN 19 11.299 2.997 9.507 128 HE22 GLN 19 HE21 GLN 19 9.847 2.533 10.394 129 H GLY 20 H GLY 20 6.900 3.596 5.133 130 HA2 GLY 20 HA2 GLY 20 6.127 2.857 3.185 131 HA3 GLY 20 HA3 GLY 20 7.172 3.998 2.332 132 H CYS 21 H CYS 21 6.423 1.757 1.259 133 HA CYS 21 HA CYS 21 8.620 -0.275 1.332 134 HB2 CYS 21 HB2 CYS 21 5.605 -0.397 1.020 135 HB3 CYS 21 HB3 CYS 21 6.608 -1.699 0.460 136 H LYS 22 H LYS 22 8.913 -1.513 -0.634 137 HA LYS 22 HA LYS 22 9.391 0.014 -2.961 138 HB2 LYS 22 HB2 LYS 22 9.147 -3.000 -2.582 139 HB3 LYS 22 HB3 LYS 22 9.688 -2.233 -4.064 140 HG2 LYS 22 HG2 LYS 22 11.777 -2.342 -3.280 141 HG3 LYS 22 HG3 LYS 22 11.353 -1.033 -2.174 142 HD2 LYS 22 HD2 LYS 22 10.621 -2.715 -0.495 143 HD3 LYS 22 HD3 LYS 22 11.086 -4.020 -1.605 144 HE2 LYS 22 HE2 LYS 22 13.386 -3.556 -1.423 145 HE3 LYS 22 HE3 LYS 22 13.102 -1.932 -0.772 146 HZ1 LYS 22 HZ1 LYS 22 12.297 -4.366 0.732 147 HZ2 LYS 22 HZ2 LYS 22 13.751 -3.631 0.937 148 HZ3 LYS 22 HZ3 LYS 22 12.344 -2.837 1.260 149 H ASN 23 H ASN 23 6.720 -2.379 -2.562 150 HA ASN 23 HA ASN 23 5.194 -1.119 -4.784 151 HB2 ASN 23 HB2 ASN 23 6.400 -3.925 -4.790 152 HB3 ASN 23 HB3 ASN 23 5.053 -3.481 -5.822 153 HD21 ASN 23 HD22 ASN 23 5.365 -1.634 -7.316 154 HD22 ASN 23 HD21 ASN 23 6.991 -1.414 -7.993 155 H GLY 24 H GLY 24 3.029 -1.900 -5.015 156 HA2 GLY 24 HA2 GLY 24 1.904 -3.962 -3.403 157 HA3 GLY 24 HA3 GLY 24 1.487 -2.406 -2.680 158 H LYS 25 H LYS 25 -0.265 -4.409 -3.817 159 HA LYS 25 HA LYS 25 -1.400 -3.152 -6.305 160 HB2 LYS 25 HB2 LYS 25 -0.255 -5.223 -6.730 161 HB3 LYS 25 HB3 LYS 25 -1.103 -6.048 -5.438 162 HG2 LYS 25 HG2 LYS 25 -2.739 -4.880 -7.671 163 HG3 LYS 25 HG3 LYS 25 -1.747 -6.301 -8.017 164 HD2 LYS 25 HD2 LYS 25 -2.798 -7.546 -6.176 165 HD3 LYS 25 HD3 LYS 25 -3.856 -6.193 -5.809 166 HE2 LYS 25 HE2 LYS 25 -3.765 -7.624 -8.505 167 HE3 LYS 25 HE3 LYS 25 -4.868 -8.058 -7.193 168 HZ1 LYS 25 HZ1 LYS 25 -4.814 -5.423 -8.552 169 HZ2 LYS 25 HZ2 LYS 25 -5.976 -6.586 -8.727 170 HZ3 LYS 25 HZ3 LYS 25 -5.756 -5.777 -7.298 171 H CYS 26 H CYS 26 -3.480 -2.539 -6.290 172 HA CYS 26 HA CYS 26 -4.900 -2.547 -3.763 173 HB2 CYS 26 HB2 CYS 26 -4.617 -0.626 -5.360 174 HB3 CYS 26 HB3 CYS 26 -5.741 -1.448 -6.444 175 H MET 27 H MET 27 -7.160 -2.988 -3.527 176 HA MET 27 HA MET 27 -8.328 -5.277 -5.067 177 HB2 MET 27 HB2 MET 27 -7.774 -5.060 -2.063 178 HB3 MET 27 HB3 MET 27 -8.824 -6.286 -2.767 179 HG2 MET 27 HG2 MET 27 -7.020 -7.244 -4.021 180 HG3 MET 27 HG3 MET 27 -5.921 -5.966 -3.590 181 HE1 MET 27 HE1 MET 27 -4.283 -8.089 -3.146 182 HE2 MET 27 HE2 MET 27 -4.626 -9.305 -1.894 183 HE3 MET 27 HE3 MET 27 -5.636 -9.234 -3.350 184 H ASN 28 H ASN 28 -10.624 -5.540 -3.397 185 HA ASN 28 HA ASN 28 -12.160 -3.100 -3.893 186 HB2 ASN 28 HB2 ASN 28 -13.261 -5.298 -4.018 187 HB3 ASN 28 HB3 ASN 28 -12.828 -5.633 -2.338 188 HD21 ASN 28 HD22 ASN 28 -15.346 -5.981 -2.570 189 HD22 ASN 28 HD21 ASN 28 -16.186 -4.616 -1.831 190 H ARG 29 H ARG 29 -11.510 -1.470 -2.821 191 HA ARG 29 HA ARG 29 -10.230 -0.178 -1.664 192 HB2 ARG 29 HB2 ARG 29 -11.253 0.596 0.431 193 HB3 ARG 29 HB3 ARG 29 -12.402 0.369 -0.872 194 HG2 ARG 29 HG2 ARG 29 -13.170 -1.724 0.104 195 HG3 ARG 29 HG3 ARG 29 -11.867 -1.722 1.313 196 HD2 ARG 29 HD2 ARG 29 -12.746 0.233 2.362 197 HD3 ARG 29 HD3 ARG 29 -13.938 0.487 1.055 198 HE ARG 29 HE ARG 29 -14.383 -2.106 1.998 199 HH11 ARG 29 HH11 ARG 29 -14.824 1.104 3.403 200 HH12 ARG 29 HH12 ARG 29 -16.132 0.532 4.426 201 HH21 ARG 29 HH21 ARG 29 -15.883 -2.717 3.300 202 HH22 ARG 29 HH22 ARG 29 -16.773 -1.601 4.332 203 H LYS 30 H LYS 30 -9.778 -3.279 -0.397 204 HA LYS 30 HA LYS 30 -7.606 -2.371 1.386 205 HB2 LYS 30 HB2 LYS 30 -8.609 -5.106 0.541 206 HB3 LYS 30 HB3 LYS 30 -7.138 -4.904 1.484 207 HG2 LYS 30 HG2 LYS 30 -9.887 -3.945 2.355 208 HG3 LYS 30 HG3 LYS 30 -9.073 -5.423 2.889 209 HD2 LYS 30 HD2 LYS 30 -7.168 -3.934 3.736 210 HD3 LYS 30 HD3 LYS 30 -8.237 -2.539 3.475 211 HE2 LYS 30 HE2 LYS 30 -9.887 -3.438 5.001 212 HE3 LYS 30 HE3 LYS 30 -9.027 -4.965 5.115 213 HZ1 LYS 30 HZ1 LYS 30 -8.592 -3.587 7.045 214 HZ2 LYS 30 HZ2 LYS 30 -7.213 -3.845 6.256 215 HZ3 LYS 30 HZ3 LYS 30 -7.976 -2.377 6.150 216 H CYS 31 H CYS 31 -5.454 -3.609 1.049 217 HA CYS 31 HA CYS 31 -4.617 -3.766 -1.777 218 HB2 CYS 31 HB2 CYS 31 -4.244 -1.401 -0.612 219 HB3 CYS 31 HB3 CYS 31 -2.891 -2.218 0.157 220 H LYS 32 H LYS 32 -2.570 -4.866 -2.029 221 HA LYS 32 HA LYS 32 -1.544 -6.290 0.410 222 HB2 LYS 32 HB2 LYS 32 -2.651 -7.909 -1.018 223 HB3 LYS 32 HB3 LYS 32 -1.687 -7.395 -2.417 224 HG2 LYS 32 HG2 LYS 32 0.383 -8.121 -1.322 225 HG3 LYS 32 HG3 LYS 32 -0.483 -8.505 0.168 226 HD2 LYS 32 HD2 LYS 32 -1.008 -9.876 -2.504 227 HD3 LYS 32 HD3 LYS 32 0.148 -10.459 -1.298 228 HE2 LYS 32 HE2 LYS 32 -1.670 -10.614 0.390 229 HE3 LYS 32 HE3 LYS 32 -2.843 -10.071 -0.816 230 HZ1 LYS 32 HZ1 LYS 32 -1.202 -12.538 -1.025 231 HZ2 LYS 32 HZ2 LYS 32 -2.810 -12.491 -0.655 232 HZ3 LYS 32 HZ3 LYS 32 -2.297 -12.034 -2.149 233 H CYS 33 H CYS 33 0.369 -5.674 0.965 234 HA CYS 33 HA CYS 33 2.130 -4.113 -0.807 235 HB2 CYS 33 HB2 CYS 33 2.382 -4.977 2.087 236 HB3 CYS 33 HB3 CYS 33 3.450 -3.843 1.277 237 H TYR 34 H TYR 34 3.981 -4.899 -1.772 238 HA TYR 34 HA TYR 34 4.129 -7.857 -1.893 239 HB2 TYR 34 HB2 TYR 34 5.021 -5.681 -3.773 240 HB3 TYR 34 HB3 TYR 34 5.539 -7.360 -3.940 241 HD1 TYR 34 HD1 TYR 34 2.051 -7.037 -2.781 242 HD2 TYR 34 HD2 TYR 34 4.647 -7.213 -6.227 243 HE1 TYR 34 HE1 TYR 34 0.146 -7.698 -4.182 244 HE2 TYR 34 HE2 TYR 34 2.716 -7.900 -7.630 245 HH TYR 34 HH TYR 34 0.464 -8.472 -7.657 246 H TYR 35 H TYR 35 6.966 -6.182 -2.805 247 HA TYR 35 HA TYR 35 8.609 -7.959 -1.387 248 HB2 TYR 35 HB2 TYR 35 9.463 -5.405 -2.766 249 HB3 TYR 35 HB3 TYR 35 10.396 -6.877 -2.568 250 HD1 TYR 35 HD2 TYR 35 9.233 -9.072 -3.657 251 HD2 TYR 35 HD1 TYR 35 8.526 -4.991 -4.849 252 HE1 TYR 35 HE2 TYR 35 8.473 -9.846 -5.910 253 HE2 TYR 35 HE1 TYR 35 7.715 -5.769 -7.060 254 HH TYR 35 HH TYR 35 7.338 -7.533 -8.410 255 H CYS 36 H CYS 36 7.138 -6.292 0.559 256 HA CYS 36 HA CYS 36 9.281 -5.505 2.381 257 HB2 CYS 36 HB2 CYS 36 9.157 -3.577 0.943 258 HB3 CYS 36 HB3 CYS 36 7.393 -3.576 1.029 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 3.229 -4.563 5.341 2 H2 ALA 1 H2 ALA 1 3.599 -4.339 6.922 3 H3 ALA 1 H3 ALA 1 3.058 -3.064 6.024 4 HA ALA 1 HA ALA 1 1.521 -5.471 6.702 5 HB1 ALA 1 HB1 ALA 1 1.879 -4.044 8.679 6 HB2 ALA 1 HB2 ALA 1 1.264 -2.633 7.793 7 HB3 ALA 1 HB3 ALA 1 0.183 -3.996 8.161 8 H ALA 2 H ALA 2 0.201 -5.946 5.035 9 HA ALA 2 HA ALA 2 -0.545 -3.883 3.092 10 HB1 ALA 2 HB1 ALA 2 -1.115 -5.766 1.730 11 HB2 ALA 2 HB2 ALA 2 0.412 -6.126 2.524 12 HB3 ALA 2 HB3 ALA 2 -1.082 -6.877 3.124 13 H ALA 3 H ALA 3 -1.962 -5.090 5.876 14 HA ALA 3 HA ALA 3 -4.704 -5.131 5.640 15 HB1 ALA 3 HB1 ALA 3 -4.527 -4.551 8.068 16 HB2 ALA 3 HB2 ALA 3 -3.253 -5.688 7.594 17 HB3 ALA 3 HB3 ALA 3 -2.878 -3.946 7.767 18 H ILE 4 H ILE 4 -3.273 -2.538 4.432 19 HA ILE 4 HA ILE 4 -4.235 -0.338 6.032 20 HB ILE 4 HB ILE 4 -3.279 1.014 4.188 21 HG12 ILE 4 HG12 ILE 4 -2.185 -1.506 2.944 22 HG13 ILE 4 HG13 ILE 4 -3.741 -0.851 2.416 23 HG21 ILE 4 HG21 ILE 4 -0.942 0.437 4.692 24 HG22 ILE 4 HG22 ILE 4 -1.953 0.386 6.135 25 HG23 ILE 4 HG23 ILE 4 -1.460 -1.124 5.350 26 HD11 ILE 4 HD11 ILE 4 -2.023 0.015 1.004 27 HD12 ILE 4 HD12 ILE 4 -2.684 1.347 1.960 28 HD13 ILE 4 HD13 ILE 4 -1.107 0.618 2.407 29 H SER 5 H SER 5 -5.350 1.460 5.231 30 HA SER 5 HA SER 5 -7.831 0.887 3.764 31 HB2 SER 5 HB2 SER 5 -6.728 3.537 4.739 32 HB3 SER 5 HB3 SER 5 -8.377 3.190 4.170 33 HG SER 5 HG SER 5 -7.988 3.211 6.531 34 H CYS 6 H CYS 6 -7.200 0.297 1.667 35 HA CYS 6 HA CYS 6 -5.461 1.583 -0.133 36 HB2 CYS 6 HB2 CYS 6 -6.604 -0.500 -0.570 37 HB3 CYS 6 HB3 CYS 6 -8.170 0.310 -0.496 38 H VAL 7 H VAL 7 -8.772 2.581 0.730 39 HA VAL 7 HA VAL 7 -9.112 4.647 -1.203 40 HB VAL 7 HB VAL 7 -10.816 3.399 0.146 41 HG11 VAL 7 HG11 VAL 7 -9.856 3.663 2.424 42 HG12 VAL 7 HG12 VAL 7 -10.242 5.400 2.374 43 HG13 VAL 7 HG13 VAL 7 -11.534 4.194 2.315 44 HG21 VAL 7 HG21 VAL 7 -12.432 5.165 0.199 45 HG22 VAL 7 HG22 VAL 7 -11.164 6.405 0.232 46 HG23 VAL 7 HG23 VAL 7 -11.381 5.380 -1.205 47 H GLY 8 H GLY 8 -7.314 4.627 1.703 48 HA2 GLY 8 HA2 GLY 8 -7.559 6.818 3.140 49 HA3 GLY 8 HA3 GLY 8 -5.988 6.148 2.699 50 H SER 9 H SER 9 -4.715 7.103 1.082 51 HA SER 9 HA SER 9 -5.742 9.507 -0.256 52 HB2 SER 9 HB2 SER 9 -4.827 10.242 2.025 53 HB3 SER 9 HB3 SER 9 -3.224 9.963 1.376 54 HG SER 9 HG SER 9 -3.431 11.701 0.164 55 HA PRO 10 HA PRO 10 -1.957 7.916 -2.632 56 HB2 PRO 10 HB2 PRO 10 -0.078 6.323 -1.562 57 HB3 PRO 10 HB3 PRO 10 -0.083 8.081 -1.193 58 HG2 PRO 10 HG2 PRO 10 -1.318 5.829 0.421 59 HG3 PRO 10 HG3 PRO 10 -0.132 7.019 1.034 60 HD2 PRO 10 HD2 PRO 10 -2.815 7.391 1.362 61 HD3 PRO 10 HD3 PRO 10 -1.707 8.751 0.954 62 H GLU 11 H GLU 11 -1.423 5.655 -3.633 63 HA GLU 11 HA GLU 11 -3.577 3.770 -3.281 64 HB2 GLU 11 HB2 GLU 11 -0.922 3.132 -4.633 65 HB3 GLU 11 HB3 GLU 11 -2.483 2.365 -4.825 66 HG2 GLU 11 HG2 GLU 11 -2.555 3.601 -6.701 67 HG3 GLU 11 HG3 GLU 11 -3.191 4.842 -5.635 68 H CYS 12 H CYS 12 -0.079 2.944 -2.738 69 HA CYS 12 HA CYS 12 -0.806 1.644 -0.196 70 HB2 CYS 12 HB2 CYS 12 -1.698 0.101 -1.772 71 HB3 CYS 12 HB3 CYS 12 -0.199 -0.002 -2.661 72 HA PRO 13 HA PRO 13 3.934 0.625 -0.833 73 HB2 PRO 13 HB2 PRO 13 4.831 2.943 -2.476 74 HB3 PRO 13 HB3 PRO 13 5.347 1.252 -2.521 75 HG2 PRO 13 HG2 PRO 13 3.568 2.488 -4.319 76 HG3 PRO 13 HG3 PRO 13 3.758 0.733 -4.092 77 HD2 PRO 13 HD2 PRO 13 1.490 2.356 -3.376 78 HD3 PRO 13 HD3 PRO 13 1.694 0.610 -3.279 79 HA PRO 14 HA PRO 14 5.013 4.738 1.277 80 HB2 PRO 14 HB2 PRO 14 3.539 6.998 1.092 81 HB3 PRO 14 HB3 PRO 14 4.664 6.496 -0.200 82 HG2 PRO 14 HG2 PRO 14 1.687 5.996 -0.031 83 HG3 PRO 14 HG3 PRO 14 2.594 6.714 -1.409 84 HD2 PRO 14 HD2 PRO 14 1.912 4.073 -1.319 85 HD3 PRO 14 HD3 PRO 14 3.462 4.626 -2.024 86 H LYS 15 H LYS 15 1.879 3.373 1.349 87 HA LYS 15 HA LYS 15 1.233 4.362 4.086 88 HB2 LYS 15 HB2 LYS 15 -0.371 4.630 2.124 89 HB3 LYS 15 HB3 LYS 15 -0.626 2.884 2.204 90 HG2 LYS 15 HG2 LYS 15 -1.276 3.256 4.678 91 HG3 LYS 15 HG3 LYS 15 -1.180 4.980 4.340 92 HD2 LYS 15 HD2 LYS 15 -3.208 2.982 3.317 93 HD3 LYS 15 HD3 LYS 15 -3.452 4.400 4.298 94 HE2 LYS 15 HE2 LYS 15 -4.007 5.510 2.489 95 HE3 LYS 15 HE3 LYS 15 -2.326 5.468 1.997 96 HZ1 LYS 15 HZ1 LYS 15 -2.887 3.377 0.734 97 HZ2 LYS 15 HZ2 LYS 15 -4.449 3.515 1.264 98 HZ3 LYS 15 HZ3 LYS 15 -3.789 4.603 0.229 99 H CYS 16 H CYS 16 2.073 1.449 2.305 100 HA CYS 16 HA CYS 16 1.124 -0.555 4.009 101 HB2 CYS 16 HB2 CYS 16 1.947 -0.806 1.684 102 HB3 CYS 16 HB3 CYS 16 3.607 -0.659 2.249 103 H ARG 17 H ARG 17 3.753 1.578 4.708 104 HA ARG 17 HA ARG 17 3.768 0.552 7.392 105 HB2 ARG 17 HB2 ARG 17 6.065 0.259 7.720 106 HB3 ARG 17 HB3 ARG 17 5.622 -0.761 6.339 107 HG2 ARG 17 HG2 ARG 17 6.496 1.124 4.838 108 HG3 ARG 17 HG3 ARG 17 7.111 1.904 6.305 109 HD2 ARG 17 HD2 ARG 17 7.919 -0.768 5.127 110 HD3 ARG 17 HD3 ARG 17 8.890 0.706 5.294 111 HE ARG 17 HE ARG 17 7.857 -0.774 7.676 112 HH11 ARG 17 HH11 ARG 17 10.779 0.474 6.086 113 HH12 ARG 17 HH12 ARG 17 11.716 0.083 7.521 114 HH21 ARG 17 HH21 ARG 17 9.115 -1.320 9.231 115 HH22 ARG 17 HH22 ARG 17 10.864 -1.117 9.143 116 H ALA 18 H ALA 18 4.967 2.010 8.853 117 HA ALA 18 HA ALA 18 3.874 4.566 8.667 118 HB1 ALA 18 HB1 ALA 18 5.101 4.939 10.752 119 HB2 ALA 18 HB2 ALA 18 4.499 3.275 10.697 120 HB3 ALA 18 HB3 ALA 18 6.207 3.597 10.360 121 H GLN 19 H GLN 19 7.080 3.571 7.655 122 HA GLN 19 HA GLN 19 7.820 6.341 6.822 123 HB2 GLN 19 HB2 GLN 19 10.095 5.552 6.863 124 HB3 GLN 19 HB3 GLN 19 9.315 5.377 8.430 125 HG2 GLN 19 HG2 GLN 19 9.340 2.993 6.553 126 HG3 GLN 19 HG3 GLN 19 10.801 3.514 7.342 127 HE21 GLN 19 HE22 GLN 19 11.237 2.755 9.396 128 HE22 GLN 19 HE21 GLN 19 10.057 1.926 10.385 129 H GLY 20 H GLY 20 6.263 3.957 5.362 130 HA2 GLY 20 HA2 GLY 20 5.891 3.304 3.232 131 HA3 GLY 20 HA3 GLY 20 6.857 4.681 2.674 132 H CYS 21 H CYS 21 6.631 2.177 1.373 133 HA CYS 21 HA CYS 21 9.424 1.237 1.285 134 HB2 CYS 21 HB2 CYS 21 8.787 -1.080 1.842 135 HB3 CYS 21 HB3 CYS 21 8.562 0.021 3.163 136 H LYS 22 H LYS 22 8.872 -1.182 0.052 137 HA LYS 22 HA LYS 22 8.800 -0.528 -2.683 138 HB2 LYS 22 HB2 LYS 22 8.456 -3.322 -1.579 139 HB3 LYS 22 HB3 LYS 22 9.285 -2.804 -3.047 140 HG2 LYS 22 HG2 LYS 22 10.965 -1.598 -1.484 141 HG3 LYS 22 HG3 LYS 22 10.193 -2.528 -0.174 142 HD2 LYS 22 HD2 LYS 22 10.657 -4.598 -1.625 143 HD3 LYS 22 HD3 LYS 22 11.722 -3.562 -2.570 144 HE2 LYS 22 HE2 LYS 22 13.151 -4.593 -1.012 145 HE3 LYS 22 HE3 LYS 22 12.877 -2.983 -0.347 146 HZ1 LYS 22 HZ1 LYS 22 11.193 -4.005 1.144 147 HZ2 LYS 22 HZ2 LYS 22 11.522 -5.494 0.507 148 HZ3 LYS 22 HZ3 LYS 22 12.665 -4.660 1.359 149 H ASN 23 H ASN 23 7.566 -1.997 -4.310 150 HA ASN 23 HA ASN 23 5.028 -0.807 -4.314 151 HB2 ASN 23 HB2 ASN 23 6.422 -2.658 -6.219 152 HB3 ASN 23 HB3 ASN 23 4.717 -2.325 -6.446 153 HD21 ASN 23 HD22 ASN 23 5.582 -1.423 -8.526 154 HD22 ASN 23 HD21 ASN 23 6.074 0.268 -8.481 155 H GLY 24 H GLY 24 2.974 -1.523 -4.697 156 HA2 GLY 24 HA2 GLY 24 2.014 -4.125 -3.895 157 HA3 GLY 24 HA3 GLY 24 1.785 -2.917 -2.620 158 H LYS 25 H LYS 25 -0.219 -4.368 -4.203 159 HA LYS 25 HA LYS 25 -1.518 -2.181 -5.807 160 HB2 LYS 25 HB2 LYS 25 -0.412 -3.963 -7.088 161 HB3 LYS 25 HB3 LYS 25 -1.449 -5.181 -6.315 162 HG2 LYS 25 HG2 LYS 25 -3.414 -3.971 -7.362 163 HG3 LYS 25 HG3 LYS 25 -2.247 -2.930 -8.204 164 HD2 LYS 25 HD2 LYS 25 -2.429 -5.969 -8.430 165 HD3 LYS 25 HD3 LYS 25 -3.124 -4.847 -9.590 166 HE2 LYS 25 HE2 LYS 25 -0.144 -5.046 -8.959 167 HE3 LYS 25 HE3 LYS 25 -0.943 -5.896 -10.273 168 HZ1 LYS 25 HZ1 LYS 25 -0.775 -2.943 -10.016 169 HZ2 LYS 25 HZ2 LYS 25 0.030 -3.877 -11.090 170 HZ3 LYS 25 HZ3 LYS 25 -1.597 -3.751 -11.206 171 H CYS 26 H CYS 26 -3.800 -1.981 -5.731 172 HA CYS 26 HA CYS 26 -4.936 -2.882 -3.201 173 HB2 CYS 26 HB2 CYS 26 -5.180 -0.614 -4.107 174 HB3 CYS 26 HB3 CYS 26 -6.153 -1.249 -5.419 175 H MET 27 H MET 27 -6.514 -4.266 -2.798 176 HA MET 27 HA MET 27 -7.376 -6.190 -4.897 177 HB2 MET 27 HB2 MET 27 -6.238 -7.006 -2.877 178 HB3 MET 27 HB3 MET 27 -7.521 -6.386 -1.857 179 HG2 MET 27 HG2 MET 27 -8.162 -8.302 -4.110 180 HG3 MET 27 HG3 MET 27 -7.393 -8.918 -2.670 181 HE1 MET 27 HE1 MET 27 -10.021 -8.563 0.129 182 HE2 MET 27 HE2 MET 27 -8.519 -9.365 -0.386 183 HE3 MET 27 HE3 MET 27 -8.571 -7.598 -0.198 184 H ASN 28 H ASN 28 -9.452 -5.751 -2.138 185 HA ASN 28 HA ASN 28 -11.516 -4.398 -3.753 186 HB2 ASN 28 HB2 ASN 28 -13.009 -4.910 -1.886 187 HB3 ASN 28 HB3 ASN 28 -12.237 -6.344 -2.527 188 HD21 ASN 28 HD22 ASN 28 -13.470 -6.533 -0.125 189 HD22 ASN 28 HD21 ASN 28 -12.268 -6.626 1.168 190 H ARG 29 H ARG 29 -10.772 -3.847 -0.354 191 HA ARG 29 HA ARG 29 -9.906 -1.063 -0.893 192 HB2 ARG 29 HB2 ARG 29 -11.074 -0.257 1.045 193 HB3 ARG 29 HB3 ARG 29 -12.206 -0.982 -0.093 194 HG2 ARG 29 HG2 ARG 29 -12.323 -3.040 1.314 195 HG3 ARG 29 HG3 ARG 29 -11.140 -2.338 2.422 196 HD2 ARG 29 HD2 ARG 29 -13.217 -1.913 3.457 197 HD3 ARG 29 HD3 ARG 29 -12.753 -0.377 2.727 198 HE ARG 29 HE ARG 29 -14.504 -0.527 1.190 199 HH11 ARG 29 HH11 ARG 29 -14.377 -3.660 2.879 200 HH12 ARG 29 HH12 ARG 29 -16.050 -3.957 2.446 201 HH21 ARG 29 HH21 ARG 29 -16.429 -1.118 0.584 202 HH22 ARG 29 HH22 ARG 29 -17.072 -2.717 0.970 203 H LYS 30 H LYS 30 -8.918 -3.971 0.091 204 HA LYS 30 HA LYS 30 -6.841 -2.989 2.013 205 HB2 LYS 30 HB2 LYS 30 -7.508 -5.823 1.110 206 HB3 LYS 30 HB3 LYS 30 -6.325 -5.360 2.331 207 HG2 LYS 30 HG2 LYS 30 -8.244 -4.359 3.683 208 HG3 LYS 30 HG3 LYS 30 -9.356 -5.045 2.487 209 HD2 LYS 30 HD2 LYS 30 -9.312 -6.654 4.201 210 HD3 LYS 30 HD3 LYS 30 -8.240 -7.312 2.948 211 HE2 LYS 30 HE2 LYS 30 -6.308 -6.186 4.284 212 HE3 LYS 30 HE3 LYS 30 -7.501 -5.955 5.574 213 HZ1 LYS 30 HZ1 LYS 30 -7.832 -8.445 5.441 214 HZ2 LYS 30 HZ2 LYS 30 -6.541 -8.506 4.438 215 HZ3 LYS 30 HZ3 LYS 30 -6.338 -7.958 5.967 216 H CYS 31 H CYS 31 -4.591 -3.992 1.518 217 HA CYS 31 HA CYS 31 -4.026 -3.813 -1.418 218 HB2 CYS 31 HB2 CYS 31 -3.170 -1.900 -0.101 219 HB3 CYS 31 HB3 CYS 31 -2.267 -3.009 0.921 220 H LYS 32 H LYS 32 -2.260 -5.056 -2.210 221 HA LYS 32 HA LYS 32 -1.336 -7.387 -0.609 222 HB2 LYS 32 HB2 LYS 32 -2.806 -7.776 -2.743 223 HB3 LYS 32 HB3 LYS 32 -1.394 -7.274 -3.663 224 HG2 LYS 32 HG2 LYS 32 -1.555 -9.554 -1.651 225 HG3 LYS 32 HG3 LYS 32 -1.651 -9.739 -3.395 226 HD2 LYS 32 HD2 LYS 32 0.595 -9.639 -3.713 227 HD3 LYS 32 HD3 LYS 32 0.861 -8.430 -2.461 228 HE2 LYS 32 HE2 LYS 32 0.307 -10.198 -0.751 229 HE3 LYS 32 HE3 LYS 32 0.373 -11.399 -2.046 230 HZ1 LYS 32 HZ1 LYS 32 2.624 -9.600 -1.268 231 HZ2 LYS 32 HZ2 LYS 32 2.512 -11.139 -0.816 232 HZ3 LYS 32 HZ3 LYS 32 2.718 -10.814 -2.393 233 H CYS 33 H CYS 33 0.653 -6.693 0.162 234 HA CYS 33 HA CYS 33 2.280 -4.802 -1.473 235 HB2 CYS 33 HB2 CYS 33 2.732 -5.811 1.345 236 HB3 CYS 33 HB3 CYS 33 3.759 -4.674 0.476 237 H TYR 34 H TYR 34 3.774 -5.553 -2.880 238 HA TYR 34 HA TYR 34 4.031 -8.468 -3.132 239 HB2 TYR 34 HB2 TYR 34 4.941 -6.115 -4.823 240 HB3 TYR 34 HB3 TYR 34 5.291 -7.777 -5.229 241 HD1 TYR 34 HD1 TYR 34 3.144 -9.416 -5.101 242 HD2 TYR 34 HD2 TYR 34 3.074 -5.193 -5.994 243 HE1 TYR 34 HE1 TYR 34 0.975 -9.709 -6.304 244 HE2 TYR 34 HE2 TYR 34 0.988 -5.522 -7.265 245 HH TYR 34 HH TYR 34 -0.770 -8.632 -7.404 246 H TYR 35 H TYR 35 6.247 -5.781 -2.495 247 HA TYR 35 HA TYR 35 8.376 -7.779 -1.783 248 HB2 TYR 35 HB2 TYR 35 8.646 -5.198 -3.330 249 HB3 TYR 35 HB3 TYR 35 9.983 -6.245 -2.825 250 HD1 TYR 35 HD2 TYR 35 9.904 -8.734 -3.492 251 HD2 TYR 35 HD1 TYR 35 7.649 -5.632 -5.477 252 HE1 TYR 35 HE2 TYR 35 9.566 -10.231 -5.426 253 HE2 TYR 35 HE1 TYR 35 7.306 -7.142 -7.430 254 HH TYR 35 HH TYR 35 8.589 -10.509 -7.467 255 H CYS 36 H CYS 36 6.479 -5.630 -0.269 256 HA CYS 36 HA CYS 36 8.513 -5.080 1.850 257 HB2 CYS 36 HB2 CYS 36 7.924 -3.016 0.945 258 HB3 CYS 36 HB3 CYS 36 6.230 -3.444 0.743 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 4.317 -3.554 5.633 2 H2 ALA 1 H2 ALA 1 4.866 -4.537 4.414 3 H3 ALA 1 H3 ALA 1 4.493 -5.172 5.898 4 HA ALA 1 HA ALA 1 2.545 -3.907 4.097 5 HB1 ALA 1 HB1 ALA 1 2.970 -6.856 4.768 6 HB2 ALA 1 HB2 ALA 1 1.668 -6.193 3.760 7 HB3 ALA 1 HB3 ALA 1 3.350 -6.070 3.222 8 H ALA 2 H ALA 2 0.365 -3.749 4.957 9 HA ALA 2 HA ALA 2 -0.256 -4.881 7.541 10 HB1 ALA 2 HB1 ALA 2 -0.702 -2.697 8.646 11 HB2 ALA 2 HB2 ALA 2 1.023 -2.884 8.286 12 HB3 ALA 2 HB3 ALA 2 0.011 -1.843 7.258 13 H ALA 3 H ALA 3 -2.531 -4.859 7.874 14 HA ALA 3 HA ALA 3 -4.185 -4.581 5.561 15 HB1 ALA 3 HB1 ALA 3 -6.013 -5.025 7.150 16 HB2 ALA 3 HB2 ALA 3 -4.661 -6.166 7.323 17 HB3 ALA 3 HB3 ALA 3 -4.873 -4.847 8.501 18 H ILE 4 H ILE 4 -4.444 -2.578 4.621 19 HA ILE 4 HA ILE 4 -5.787 -0.470 6.244 20 HB ILE 4 HB ILE 4 -4.394 1.271 5.215 21 HG12 ILE 4 HG12 ILE 4 -2.853 -1.072 4.071 22 HG13 ILE 4 HG13 ILE 4 -3.629 0.281 3.231 23 HG21 ILE 4 HG21 ILE 4 -2.540 1.134 6.701 24 HG22 ILE 4 HG22 ILE 4 -3.924 0.375 7.510 25 HG23 ILE 4 HG23 ILE 4 -2.649 -0.639 6.781 26 HD11 ILE 4 HD11 ILE 4 -1.259 0.603 3.247 27 HD12 ILE 4 HD12 ILE 4 -1.955 1.788 4.382 28 HD13 ILE 4 HD13 ILE 4 -1.145 0.312 4.990 29 H SER 5 H SER 5 -6.747 1.236 5.052 30 HA SER 5 HA SER 5 -8.273 0.374 2.825 31 HB2 SER 5 HB2 SER 5 -9.038 2.767 2.759 32 HB3 SER 5 HB3 SER 5 -9.254 1.904 4.271 33 HG SER 5 HG SER 5 -8.493 3.893 4.722 34 H CYS 6 H CYS 6 -7.725 0.073 0.895 35 HA CYS 6 HA CYS 6 -5.645 0.851 -0.766 36 HB2 CYS 6 HB2 CYS 6 -7.394 -0.682 -1.450 37 HB3 CYS 6 HB3 CYS 6 -8.620 0.599 -1.301 38 H VAL 7 H VAL 7 -8.649 2.732 -0.181 39 HA VAL 7 HA VAL 7 -7.931 4.942 -1.890 40 HB VAL 7 HB VAL 7 -9.963 4.702 0.363 41 HG11 VAL 7 HG11 VAL 7 -11.021 6.714 -0.641 42 HG12 VAL 7 HG12 VAL 7 -9.434 7.091 0.020 43 HG13 VAL 7 HG13 VAL 7 -9.631 6.896 -1.733 44 HG21 VAL 7 HG21 VAL 7 -10.260 4.651 -2.681 45 HG22 VAL 7 HG22 VAL 7 -10.404 3.241 -1.624 46 HG23 VAL 7 HG23 VAL 7 -11.585 4.547 -1.502 47 H GLY 8 H GLY 8 -8.103 4.821 1.700 48 HA2 GLY 8 HA2 GLY 8 -7.046 6.148 3.312 49 HA3 GLY 8 HA3 GLY 8 -5.611 5.647 2.430 50 H SER 9 H SER 9 -4.253 7.170 2.125 51 HA SER 9 HA SER 9 -5.279 9.794 1.021 52 HB2 SER 9 HB2 SER 9 -4.569 10.353 3.141 53 HB3 SER 9 HB3 SER 9 -3.180 9.277 3.088 54 HG SER 9 HG SER 9 -3.289 11.865 2.413 55 HA PRO 10 HA PRO 10 -1.600 8.698 -1.776 56 HB2 PRO 10 HB2 PRO 10 0.293 6.943 -1.124 57 HB3 PRO 10 HB3 PRO 10 0.296 8.578 -0.384 58 HG2 PRO 10 HG2 PRO 10 -0.867 6.033 0.813 59 HG3 PRO 10 HG3 PRO 10 0.308 7.155 1.577 60 HD2 PRO 10 HD2 PRO 10 -2.397 7.269 1.989 61 HD3 PRO 10 HD3 PRO 10 -1.378 8.749 1.914 62 H GLU 11 H GLU 11 -0.773 6.501 -3.043 63 HA GLU 11 HA GLU 11 -3.151 4.916 -3.505 64 HB2 GLU 11 HB2 GLU 11 -0.376 4.944 -4.685 65 HB3 GLU 11 HB3 GLU 11 -1.564 3.730 -5.157 66 HG2 GLU 11 HG2 GLU 11 -2.914 5.200 -6.261 67 HG3 GLU 11 HG3 GLU 11 -2.608 6.521 -5.147 68 H CYS 12 H CYS 12 0.057 3.327 -2.849 69 HA CYS 12 HA CYS 12 -1.203 1.848 -0.637 70 HB2 CYS 12 HB2 CYS 12 -2.146 0.602 -2.414 71 HB3 CYS 12 HB3 CYS 12 -0.629 0.451 -3.249 72 HA PRO 13 HA PRO 13 3.223 0.197 -0.626 73 HB2 PRO 13 HB2 PRO 13 5.163 1.215 -2.292 74 HB3 PRO 13 HB3 PRO 13 4.128 -0.202 -2.612 75 HG2 PRO 13 HG2 PRO 13 3.761 2.591 -3.648 76 HG3 PRO 13 HG3 PRO 13 3.600 1.032 -4.503 77 HD2 PRO 13 HD2 PRO 13 1.456 2.383 -3.545 78 HD3 PRO 13 HD3 PRO 13 1.516 0.601 -3.594 79 HA PRO 14 HA PRO 14 5.002 4.229 0.954 80 HB2 PRO 14 HB2 PRO 14 3.882 6.658 0.692 81 HB3 PRO 14 HB3 PRO 14 4.807 5.918 -0.660 82 HG2 PRO 14 HG2 PRO 14 1.816 5.797 -0.174 83 HG3 PRO 14 HG3 PRO 14 2.642 6.375 -1.670 84 HD2 PRO 14 HD2 PRO 14 1.683 3.865 -1.390 85 HD3 PRO 14 HD3 PRO 14 3.224 4.168 -2.255 86 H LYS 15 H LYS 15 1.783 3.184 1.237 87 HA LYS 15 HA LYS 15 1.633 4.086 4.097 88 HB2 LYS 15 HB2 LYS 15 -0.716 3.754 4.054 89 HB3 LYS 15 HB3 LYS 15 -0.223 5.004 2.920 90 HG2 LYS 15 HG2 LYS 15 -0.785 3.674 1.017 91 HG3 LYS 15 HG3 LYS 15 -0.759 2.196 1.951 92 HD2 LYS 15 HD2 LYS 15 -3.022 2.384 1.887 93 HD3 LYS 15 HD3 LYS 15 -2.764 3.394 3.295 94 HE2 LYS 15 HE2 LYS 15 -3.933 4.920 2.327 95 HE3 LYS 15 HE3 LYS 15 -2.521 5.272 1.338 96 HZ1 LYS 15 HZ1 LYS 15 -3.435 3.653 -0.304 97 HZ2 LYS 15 HZ2 LYS 15 -4.804 3.522 0.612 98 HZ3 LYS 15 HZ3 LYS 15 -4.356 4.941 -0.129 99 H CYS 16 H CYS 16 2.180 1.336 2.149 100 HA CYS 16 HA CYS 16 1.065 -0.629 3.831 101 HB2 CYS 16 HB2 CYS 16 1.613 -1.977 2.202 102 HB3 CYS 16 HB3 CYS 16 2.184 -0.562 1.343 103 H ARG 17 H ARG 17 3.688 1.273 4.584 104 HA ARG 17 HA ARG 17 4.136 -0.218 7.081 105 HB2 ARG 17 HB2 ARG 17 6.476 1.140 5.658 106 HB3 ARG 17 HB3 ARG 17 6.488 0.206 7.156 107 HG2 ARG 17 HG2 ARG 17 5.657 -1.757 5.740 108 HG3 ARG 17 HG3 ARG 17 6.099 -0.759 4.321 109 HD2 ARG 17 HD2 ARG 17 8.403 -0.747 4.965 110 HD3 ARG 17 HD3 ARG 17 8.031 -1.358 6.585 111 HE ARG 17 HE ARG 17 7.239 -3.105 4.326 112 HH11 ARG 17 HH11 ARG 17 9.887 -2.610 6.608 113 HH12 ARG 17 HH12 ARG 17 9.959 -4.321 6.981 114 HH21 ARG 17 HH21 ARG 17 7.604 -5.167 4.609 115 HH22 ARG 17 HH22 ARG 17 8.772 -5.768 5.787 116 H ALA 18 H ALA 18 4.965 1.265 8.772 117 HA ALA 18 HA ALA 18 3.604 3.679 9.057 118 HB1 ALA 18 HB1 ALA 18 6.267 2.825 10.280 119 HB2 ALA 18 HB2 ALA 18 5.179 4.075 10.923 120 HB3 ALA 18 HB3 ALA 18 4.648 2.384 10.873 121 H GLN 19 H GLN 19 6.653 3.225 7.330 122 HA GLN 19 HA GLN 19 6.618 6.110 6.529 123 HB2 GLN 19 HB2 GLN 19 9.008 6.080 6.424 124 HB3 GLN 19 HB3 GLN 19 8.419 5.773 8.053 125 HG2 GLN 19 HG2 GLN 19 9.264 3.528 6.162 126 HG3 GLN 19 HG3 GLN 19 10.367 4.398 7.209 127 HE21 GLN 19 HE22 GLN 19 10.011 4.305 9.591 128 HE22 GLN 19 HE21 GLN 19 9.165 2.929 10.271 129 H GLY 20 H GLY 20 5.983 3.142 5.351 130 HA2 GLY 20 HA2 GLY 20 5.735 2.198 3.318 131 HA3 GLY 20 HA3 GLY 20 6.146 3.765 2.582 132 H CYS 21 H CYS 21 6.709 1.676 1.163 133 HA CYS 21 HA CYS 21 9.603 1.201 0.998 134 HB2 CYS 21 HB2 CYS 21 8.753 -0.135 2.978 135 HB3 CYS 21 HB3 CYS 21 7.814 -1.073 1.837 136 H LYS 22 H LYS 22 9.187 -1.374 -0.304 137 HA LYS 22 HA LYS 22 8.851 -0.530 -2.989 138 HB2 LYS 22 HB2 LYS 22 8.810 -3.421 -2.082 139 HB3 LYS 22 HB3 LYS 22 9.386 -2.766 -3.611 140 HG2 LYS 22 HG2 LYS 22 11.270 -1.637 -2.350 141 HG3 LYS 22 HG3 LYS 22 10.713 -2.489 -0.898 142 HD2 LYS 22 HD2 LYS 22 10.883 -4.642 -2.457 143 HD3 LYS 22 HD3 LYS 22 11.945 -3.610 -3.418 144 HE2 LYS 22 HE2 LYS 22 13.377 -4.798 -1.937 145 HE3 LYS 22 HE3 LYS 22 13.261 -3.169 -1.265 146 HZ1 LYS 22 HZ1 LYS 22 11.500 -4.095 0.241 147 HZ2 LYS 22 HZ2 LYS 22 11.855 -5.615 -0.337 148 HZ3 LYS 22 HZ3 LYS 22 12.998 -4.780 0.461 149 H ASN 23 H ASN 23 7.657 -2.135 -4.507 150 HA ASN 23 HA ASN 23 5.265 -1.019 -4.979 151 HB2 ASN 23 HB2 ASN 23 5.905 -3.873 -5.824 152 HB3 ASN 23 HB3 ASN 23 4.842 -2.745 -6.635 153 HD21 ASN 23 HD22 ASN 23 5.768 -2.363 -8.626 154 HD22 ASN 23 HD21 ASN 23 7.459 -1.929 -8.828 155 H GLY 24 H GLY 24 3.118 -1.401 -4.904 156 HA2 GLY 24 HA2 GLY 24 1.951 -3.856 -3.907 157 HA3 GLY 24 HA3 GLY 24 1.665 -2.494 -2.823 158 H LYS 25 H LYS 25 -0.443 -3.728 -3.864 159 HA LYS 25 HA LYS 25 -1.708 -1.824 -5.776 160 HB2 LYS 25 HB2 LYS 25 -1.449 -4.848 -6.096 161 HB3 LYS 25 HB3 LYS 25 -2.656 -3.924 -6.951 162 HG2 LYS 25 HG2 LYS 25 0.348 -3.590 -7.292 163 HG3 LYS 25 HG3 LYS 25 -0.766 -4.411 -8.391 164 HD2 LYS 25 HD2 LYS 25 -2.010 -2.221 -8.632 165 HD3 LYS 25 HD3 LYS 25 -0.675 -1.444 -7.752 166 HE2 LYS 25 HE2 LYS 25 0.905 -2.268 -9.485 167 HE3 LYS 25 HE3 LYS 25 -0.439 -3.006 -10.368 168 HZ1 LYS 25 HZ1 LYS 25 0.104 -0.808 -11.251 169 HZ2 LYS 25 HZ2 LYS 25 -1.414 -0.759 -10.571 170 HZ3 LYS 25 HZ3 LYS 25 -0.132 -0.106 -9.806 171 H CYS 26 H CYS 26 -4.064 -2.201 -5.922 172 HA CYS 26 HA CYS 26 -5.171 -2.953 -3.276 173 HB2 CYS 26 HB2 CYS 26 -6.399 -1.450 -5.598 174 HB3 CYS 26 HB3 CYS 26 -7.212 -1.856 -4.091 175 H MET 27 H MET 27 -6.535 -4.587 -2.936 176 HA MET 27 HA MET 27 -8.131 -5.685 -5.155 177 HB2 MET 27 HB2 MET 27 -6.132 -7.156 -5.094 178 HB3 MET 27 HB3 MET 27 -6.413 -7.485 -3.385 179 HG2 MET 27 HG2 MET 27 -7.249 -9.305 -4.837 180 HG3 MET 27 HG3 MET 27 -8.524 -8.580 -3.872 181 HE1 MET 27 HE1 MET 27 -6.930 -8.993 -7.412 182 HE2 MET 27 HE2 MET 27 -8.000 -8.039 -8.457 183 HE3 MET 27 HE3 MET 27 -6.916 -7.214 -7.321 184 H ASN 28 H ASN 28 -10.196 -5.948 -4.485 185 HA ASN 28 HA ASN 28 -12.002 -5.576 -3.190 186 HB2 ASN 28 HB2 ASN 28 -11.494 -7.937 -2.638 187 HB3 ASN 28 HB3 ASN 28 -10.549 -7.403 -1.248 188 HD21 ASN 28 HD22 ASN 28 -11.711 -8.060 0.498 189 HD22 ASN 28 HD21 ASN 28 -13.468 -7.906 0.633 190 H ARG 29 H ARG 29 -10.420 -3.477 -3.177 191 HA ARG 29 HA ARG 29 -9.400 -1.764 -2.251 192 HB2 ARG 29 HB2 ARG 29 -10.876 -0.276 -0.999 193 HB3 ARG 29 HB3 ARG 29 -11.557 -0.984 -2.453 194 HG2 ARG 29 HG2 ARG 29 -12.881 -2.574 -1.175 195 HG3 ARG 29 HG3 ARG 29 -12.134 -2.017 0.343 196 HD2 ARG 29 HD2 ARG 29 -13.127 0.190 0.078 197 HD3 ARG 29 HD3 ARG 29 -13.624 -0.185 -1.580 198 HE ARG 29 HE ARG 29 -14.824 -2.133 0.025 199 HH11 ARG 29 HH11 ARG 29 -15.177 1.283 -0.613 200 HH12 ARG 29 HH12 ARG 29 -16.916 1.195 -0.484 201 HH21 ARG 29 HH21 ARG 29 -16.977 -2.110 0.391 202 HH22 ARG 29 HH22 ARG 29 -17.846 -0.586 0.527 203 H LYS 30 H LYS 30 -8.542 -4.169 -0.770 204 HA LYS 30 HA LYS 30 -7.274 -2.698 1.520 205 HB2 LYS 30 HB2 LYS 30 -7.462 -5.635 0.753 206 HB3 LYS 30 HB3 LYS 30 -6.353 -5.054 1.983 207 HG2 LYS 30 HG2 LYS 30 -9.376 -4.657 2.082 208 HG3 LYS 30 HG3 LYS 30 -8.479 -5.952 2.900 209 HD2 LYS 30 HD2 LYS 30 -7.126 -4.147 4.082 210 HD3 LYS 30 HD3 LYS 30 -8.275 -2.955 3.461 211 HE2 LYS 30 HE2 LYS 30 -9.018 -5.390 5.126 212 HE3 LYS 30 HE3 LYS 30 -8.709 -3.777 5.790 213 HZ1 LYS 30 HZ1 LYS 30 -10.575 -2.970 4.361 214 HZ2 LYS 30 HZ2 LYS 30 -10.905 -4.533 3.959 215 HZ3 LYS 30 HZ3 LYS 30 -11.055 -4.031 5.504 216 H CYS 31 H CYS 31 -5.097 -2.444 1.640 217 HA CYS 31 HA CYS 31 -3.682 -2.263 -0.984 218 HB2 CYS 31 HB2 CYS 31 -3.590 -0.307 0.416 219 HB3 CYS 31 HB3 CYS 31 -3.185 -1.276 1.807 220 H LYS 32 H LYS 32 -2.877 -4.190 -1.619 221 HA LYS 32 HA LYS 32 -1.526 -6.008 0.317 222 HB2 LYS 32 HB2 LYS 32 -3.147 -6.972 -1.225 223 HB3 LYS 32 HB3 LYS 32 -2.264 -6.349 -2.618 224 HG2 LYS 32 HG2 LYS 32 -0.337 -7.737 -2.138 225 HG3 LYS 32 HG3 LYS 32 -1.024 -8.272 -0.595 226 HD2 LYS 32 HD2 LYS 32 -2.303 -8.828 -3.294 227 HD3 LYS 32 HD3 LYS 32 -1.193 -9.939 -2.491 228 HE2 LYS 32 HE2 LYS 32 -2.664 -10.190 -0.581 229 HE3 LYS 32 HE3 LYS 32 -3.736 -8.906 -1.171 230 HZ1 LYS 32 HZ1 LYS 32 -4.210 -10.305 -3.116 231 HZ2 LYS 32 HZ2 LYS 32 -3.318 -11.518 -2.511 232 HZ3 LYS 32 HZ3 LYS 32 -4.693 -11.019 -1.707 233 H CYS 33 H CYS 33 0.583 -5.868 0.612 234 HA CYS 33 HA CYS 33 2.216 -4.287 -1.327 235 HB2 CYS 33 HB2 CYS 33 2.155 -4.182 1.421 236 HB3 CYS 33 HB3 CYS 33 3.582 -5.180 1.105 237 H TYR 34 H TYR 34 3.654 -5.216 -2.644 238 HA TYR 34 HA TYR 34 3.492 -8.161 -2.874 239 HB2 TYR 34 HB2 TYR 34 4.651 -5.997 -4.683 240 HB3 TYR 34 HB3 TYR 34 4.636 -7.709 -5.047 241 HD1 TYR 34 HD2 TYR 34 1.551 -7.695 -3.650 242 HD2 TYR 34 HD1 TYR 34 3.613 -5.873 -6.987 243 HE1 TYR 34 HE2 TYR 34 -0.542 -7.702 -4.961 244 HE2 TYR 34 HE1 TYR 34 1.506 -5.932 -8.305 245 HH TYR 34 HH TYR 34 -0.652 -6.749 -8.414 246 H TYR 35 H TYR 35 6.062 -5.731 -2.658 247 HA TYR 35 HA TYR 35 8.057 -7.886 -2.019 248 HB2 TYR 35 HB2 TYR 35 8.670 -5.338 -3.505 249 HB3 TYR 35 HB3 TYR 35 9.635 -6.809 -3.405 250 HD1 TYR 35 HD2 TYR 35 7.963 -9.004 -4.231 251 HD2 TYR 35 HD1 TYR 35 7.971 -4.939 -5.670 252 HE1 TYR 35 HE2 TYR 35 6.789 -9.730 -6.304 253 HE2 TYR 35 HE1 TYR 35 6.784 -5.665 -7.730 254 HH TYR 35 HH TYR 35 5.752 -7.353 -8.796 255 H CYS 36 H CYS 36 6.488 -5.719 -0.335 256 HA CYS 36 HA CYS 36 8.551 -5.789 1.680 257 HB2 CYS 36 HB2 CYS 36 8.881 -3.683 0.166 258 HB3 CYS 36 HB3 CYS 36 7.528 -3.020 1.081
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